New Database Available - Released on 23/03/2024.
banner
molecules
Showing 31 to 60 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
2-butanone 78-93-3 mono 6569 ZWEHNKRNPOVVGH-UHFFFAOYSA-N CCC(=O)C
isobutyraldehyde 78-84-2 mono 6561 AMIMRNSIRUDHCM-UHFFFAOYSA-N CC(C)C=O
2-Methylpropan-1-ol 78-83-1 mono 6560 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N CC(C)CO
linalool 78-70-6 sum of isomers 6549 CDOSHBSSFJOMGT-UHFFFAOYSA-N CC(=CCCC(C)(C=C)O)C
(-)-Fenchone 7787-20-4 mono 82229 LHXDLQBQYFFVNW-OIBJUYFYSA-N C[C@@]12CC[C@@H](C1)C(C2=O)(C)C
(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 7785-70-8 mono 82227 GRWFGVWFFZKLTI-RKDXNWHRSA-N CC1=CC[C@@H]2C[C@H]1C2(C)C
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene 7785-26-4 mono 440968 GRWFGVWFFZKLTI-IUCAKERBSA-N CC1=CC[C@H]2C[C@@H]1C2(C)C
butyl anthranilate 7756-96-9 mono 24433 HUIYGGQINIVDNW-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1N
Ethanal 75-07-0 mono 177 IKHGUXGNUITLKF-UHFFFAOYSA-N CC=O
methanethiol 74-93-1 mono 878 LSDPWZHWYPCBBB-UHFFFAOYSA-N CS
melatonin 73-31-4 mono 896 DRLFMBDRBRZALE-UHFFFAOYSA-N CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
(4-tert-butylphenoxy)acetaldehyde 72928-50-8 mono 166373 MNRZECIRFMLTEY-UHFFFAOYSA-N CC(C)(C)C1=CC=C(C=C1)OCC=O
benzene 71-43-2 mono 241 UHOVQNZJYSORNB-UHFFFAOYSA-N C1=CC=CC=C1
1-butanol 71-36-3 mono 263 LRHPLDYGYMQRHN-UHFFFAOYSA-N CCCCO
1-propanol 71-23-8 mono 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
6-Pentyloxan-2-one 705-86-2 sum of isomers 12810 GHBSPIPJMLAMEP-UHFFFAOYSA-N CCCCCC1CCCC(=O)O1
D-maltose 69-79-4 mono 6255 GUBGYTABKSRVRQ-QUYVBRFLSA-N C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C ...
thioglycolic acid 68-11-1 mono 1133 CWERGRDVMFNCDR-UHFFFAOYSA-N C(C(=O)O)S
Floralozone 67634-15-5 mono 105513 JFTSYAALCNQOKO-UHFFFAOYSA-N CCC1=CC=C(C=C1)CC(C)(C)C=O
Isoamyl allylglycolate 67634-00-8 mono 106729 XCWPXUNHSPOFGV-UHFFFAOYSA-N CC(C)CCOCC(=O)OCC=C
maltyl isobutyrate 65416-14-0 mono 3354132 VSBHYRPUJHEOBE-UHFFFAOYSA-N CC1=C(C(=O)C=CO1)OC(=O)C(C)C
(+)-carvone 6485-40-1 mono 16724 ULDHMXUKGWMISQ-VIFPVBQESA-N CC1=CC[C@@H](CC1=O)C(=C)C
4-methylvaleric acid 646-07-1 mono 12587 FGKJLKRYENPLQH-UHFFFAOYSA-N CC(C)CCC(=O)O
fructone 6413-10-1 mono 80865 XWEOGMYZFCHQNT-UHFFFAOYSA-N CCOC(=O)CC1(OCCO1)C
acetic acid 64-19-7 mono 176 QTBSBXVTEAMEQO-UHFFFAOYSA-N CC(=O)O
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] ...
ethyl hexadecanoate 628-97-7 mono 12366 XIRNKXNNONJFQO-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OCC
n-amyl acetate 628-63-7 mono 12348 PGMYKACGEOXYJE-UHFFFAOYSA-N CCCCCOC(=O)C
2-Pyrrolidinone 616-45-5 mono 12025 HNJBEVLQSNELDL-UHFFFAOYSA-N C1CC(=O)NC1
2,4,5-trimethyl-2,5-dihydro-1,3-thiazole 60633-24-1 sum of isomers 181287 AIVVNNYXOSPRCW-UHFFFAOYSA-N CC1C(=NC(S1)C)C