New Database Available - Released on 23/03/2024.
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molecules
Showing 1 to 30 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
3-Mercapto-2-methyloctan-1-ol sum of isomers CCCCCC(C(C)CO)S
2-Ethyl-3,5(6)-dimethylpyrazine mixture JZBCTZLGKSYRSF-UHFFFAOYSA-N WHMWOHBXYIZF ... CCC1=NC=C(N=C1C)C CCC1=NC(=CN=C1C)C
2-Acetyl-3,5(6)-dimethylpyrazine mixture UCGOSAWBWFUKDT-UHFFFAOYSA-N JFUVDGXTDCVG ... CC1=CN=C(C(=N1)C)C(=O)C CC1=CN=C(C(=N1)C ...
2-Ethyl-5(6)-methylpyrazine mixture RAFHQTNQEZECFL-UHFFFAOYSA-N OXCKCFJIKRGX ... CCC1=NC(=CN=C1)C CCC1=NC=C(N=C1)C
methyl (2R)-2/(2S)-2/3-methylbutanoate, sum of isomers mixture OQAGVSWESNCJJT-UHFFFAOYSA-N OCWLYWIFNDCW ... CC(C)CC(=O)OC CCC(C)C(=O)OC
Amines mixture KIDHWZJUCRJVML-UHFFFAOYSA-N ZMANZCXQSJIP ... C(CCN)CN CCN(CC)CC C1=CC=C(C=C1)N C1=CC= ...
Alcohols mixture LRHPLDYGYMQRHN-UHFFFAOYSA-N KBPLFHHGFOOT ... CCCCO CCCCCCCCO CCCCCCCCCCO CCCCCCCCCCCC ...
Aldehydes mixture ZTQSAGDEMFDKMZ-UHFFFAOYSA-N JARKCYVAAOWB ... CCCC=O CCCCCC=O CCCCCCCC=O CCCCCCCCCC=O ...
Ketones mixture FDPIMTJIUBPUKL-UHFFFAOYSA-N CATSNJVOTSVZ ... CCC(=O)CC CCCCCC(=O)C CCCCCCCC(=O)C
Acids mixture FERIUCNNQQJTOY-UHFFFAOYSA-N FUZZWVXGSFPD ... CCCC(=O)O CCCCCC(=O)O CCCCCCCC(=O)O CCCC ...
Esters mixture YLYBTZIQSIBWLI-UHFFFAOYSA-N GJQIMXVRFNLM ... CCCCCCCCOC(=O)C CCCCCCCCCOC(=O)C CCCCCCC ...
Benzenes mixture UHOVQNZJYSORNB-UHFFFAOYSA-N HJWLCRVIBGQP ... C1=CC=CC=C1 C=CCC1=CC=CC=C1 C1=CC=C(C=C1 ...
Vaniline-like mixture MWOOGOJBHIARFG-UHFFFAOYSA-N LPIRKPUURBAM ... COC1=C(C=CC(=C1)C=O)O CC(=O)OC1=C(C=CC(= ...
Lactones mixture YEJRWHAVMIAJKC-UHFFFAOYSA-N IPBFYZQJXZJB ... C1CC(=O)OC1 CCCCC1CCC(=O)O1 CCCCCCC1CCC( ...
Butter aroma recombinate (diacetyl, butanoic acid, delta-decalactone) mixture QSJXEFYPDANLFS-UHFFFAOYSA-N FERIUCNNQQJT ... CC(=O)C(=O)C CCCC(=O)O CCCCCC1CCCC(=O)O1
cis-3-hexenol trans-2-hexenal mixture UFLHIIWVXFIJGU-ARJAWSKDSA-N MBDOYVRWFFCF ... CC/C=C\CCO CCC/C=C/C=O
MCMP mixture XSAYZAUNJMRRIR-UHFFFAOYSA-N ULDHMXUKGWMI ... CC(=O)C1=CC2=CC=CC=C2C=C1 CC1=CC[C@H](CC ...
L-Carvone d-Carvone cis-3-hexenol anis aldehyde methyl-beta-naphthyl ketone linalool mixture ULDHMXUKGWMISQ-SECBINFHSA-N ULDHMXUKGWMI ... CC1=CC[C@H](CC1=O)C(=C)C CC1=CC[C@@H](CC ...
1,4-cineole mono 10106 RFFOTVCVTJUTAD-UHFFFAOYSA-N CC(C)C12CCC(O1)(CC2)C
adenosine-2’-3’-c-phosphate 634-01-5 mono 101812 KMYWVDDIPVNLME-KQYNXXCUSA-N C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H] ...
(R)-(+)-citronellol mono 101977 QMVPMAAFGQKVCJ-SNVBAGLBSA-N C[C@H](CCC=C(C)C)CCO
Epitestosterone 481-30-1 mono 10204 MUMGGOZAMZWBJJ-KZYORJDKSA-N C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CC ...
hedione sum of isomers 102861 KVWWIYGFBYDJQC-UHFFFAOYSA-N CCCCCC1C(CCC1=O)CC(=O)OC
(1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane 19902-08-0 mono 10290825 WTARULDDTDQWMU-RKDXNWHRSA-N CC1([C@@H]2CCC(=C)[C@H]1C2)C
1-propanol 71-23-8 mono 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
propionic acid 79-09-4 mono 1032 XBDQKXXYIPTUBI-UHFFFAOYSA-N CCC(=O)O
Piperonyl alcohol mono 10322 BHUIUXNAPJIDOG-UHFFFAOYSA-N C1OC2=C(O1)C=C(C=C2)CO
carvacrol 499-75-2 mono 10364 RECUKUPTGUEGMW-UHFFFAOYSA-N CC1=C(C=C(C=C1)C(C)C)O
3,7-dimethyl-6-octenoic acid sum of isomers 10402 GJWSUKYXUMVMGX-UHFFFAOYSA-N CC(CCC=C(C)C)CC(=O)O
(E)-beta-farnesene sum of isomers 10407 JSNRRGGBADWTMC-UHFFFAOYSA-N CC(=CCCC(=CCCC(=C)C=C)C)C