New Database Available - Released on 23/03/2024.
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molecules
Showing 31 to 60 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
1-propanol 71-23-8 mono 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
2-methyl-1-propanethiol 513-44-0 mono 10558 BDFAOUQQXJIZDG-UHFFFAOYSA-N CC(C)CS
Nonanedioic Acid 123-99-9 mono 2266 BDJRBEYXGGNYIS-UHFFFAOYSA-N C(CCCC(=O)O)CCCC(=O)O
E-beta-damascone mono 5374527 BGTBFNDXYDYBEY-FNORWQNLSA-N C/C=C/C(=O)C1=C(CCCC1(C)C)C
beta-Damascone sum of isomers 32052 BGTBFNDXYDYBEY-UHFFFAOYSA-N CC=CC(=O)C1=C(CCCC1(C)C)C
(3R/3S)-3-Methylnonane-2,4-dione sum of isomers 529481 BGVBGAIWXAXBLP-UHFFFAOYSA-N CCCCCC(=O)C(C)C(=O)C
Methyl 2-methylpropanoate mono 11039 BHIWKHZACMWKOJ-UHFFFAOYSA-N CC(C)C(=O)OC
Piperonyl alcohol mono 10322 BHUIUXNAPJIDOG-UHFFFAOYSA-N C1OC2=C(O1)C=C(C=C2)CO
isoeugenol 97-54-1 mono 853433 BJIOGJUNALELMI-ONEGZZNKSA-N C/C=C/C1=CC(=C(C=C1)O)OC
8-Bromo-octanoic acid mono 548275 BKJFDZSBZWHRNH-UHFFFAOYSA-N C(CCCC(=O)O)CCCBr
methyl 2-(2-methylphenyl)acetate mono 7021479 BLEMRRXGTKTJGT-UHFFFAOYSA-N CC1=CC=CC=C1CC(=O)OC
1-Methylindole mono 11781 BLRHMMGNCXNXJL-UHFFFAOYSA-N CN1C=CC2=CC=CC=C21
isopentylamine mono 7894 BMFVGAAISNGQNM-UHFFFAOYSA-N CC(C)CCN
helional sum of isomers 64805 BOPPSUHPZARXTH-UHFFFAOYSA-N CC(CC1=CC2=C(C=C1)OCO2)C=O
trans-2-Nonenal mono 5283335 BSAIUMLZVGUGKX-BQYQJAHWSA-N CCCCCC/C=C/C=O
(Z)-2-Nonenal mono 5354833 BSAIUMLZVGUGKX-FPLPWBNLSA-N CCCCCC/C=C\C=O
(S)-(+)-2-butanol mono 444683 BTANRVKWQNVYAZ-BYPYZUCNSA-N CC[C@H](C)O
2-butanol sum of isomers 6568 BTANRVKWQNVYAZ-UHFFFAOYSA-N CCC(C)O
methyl vanillate mono 19844 BVWTXUYLKBHMOX-UHFFFAOYSA-N COC1=C(C=CC(=C1)C(=O)OC)O
Geranyl propionate mono 5355853 BYCHQEILESTMQU-FMIVXFBMSA-N CCC(=O)OC/C=C(\C)/CCC=C(C)C
ethyl nonanoate mono 31251 BYEVBITUADOIGY-UHFFFAOYSA-N CCCCCCCCC(=O)OCC
2-Methylbutanal sum of isomers 7284 BYGQBDHUGHBGMD-UHFFFAOYSA-N CCC(C)C=O
Cyclopropanecarboxylic acid sum of isomers 12022011 BZLYOWSSNHNYKW-UHFFFAOYSA-N CC(C1CCCC(C1)(C)C)OC(C)(C)COC(=O)C2CC2
ethyl 2-(3-bromophenyl)acetate mono 11470552 CAERSDJFKGMKLY-UHFFFAOYSA-N CCOC(=O)CC1=CC(=CC=C1)Br
2-heptanone 110-43-0 mono 8051 CATSNJVOTSVZJV-UHFFFAOYSA-N CCCCCC(=O)C
2-Methylpyrazine mono 7976 CAWHJQAVHZEVTJ-UHFFFAOYSA-N CC1=NC=CN=C1
coffee difuran 4437-20-1 mono 20499 CBJPZHSWLMJQRI-UHFFFAOYSA-N C1=COC(=C1)CSSCC2=CC=CO2
Ethylvanillin mono 8467 CBOQJANXLMLOSS-UHFFFAOYSA-N CCOC1=C(C=CC(=C1)C=O)O
(-)-limonene oxide mono 10953718 CCEFMUBVSUDRLG-IDKOKCKLSA-N CC(=C)[C@H]1CCC2(C(C1)O2)C
(+)-Limonene oxide,mixture of cis and trans sum of isomers 91496 CCEFMUBVSUDRLG-UHFFFAOYSA-N CC(=C)C1CCC2(C(C1)O2)C