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
sylkolide mono 11277198 ZYIJXTQXQNXPSH-FMIVXFBMSA-N CC(C)/C=C(\C)/C(C)OC(C)(C)COC(=O)C1CC1
coumarin 91-64-5 mono 323 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CC(=O)O2
Methyl eugenol mono 7127 ZYEMGPIYFIJGTP-UHFFFAOYSA-N COC1=C(C=C(C=C1)CC=C)OC
2-Methylpropan-1-ol 78-83-1 mono 6560 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N CC(C)CO
nonanol mono 8914 ZWRUINPWMLAQRD-UHFFFAOYSA-N CCCCCCCCCO
Cinnamyl nitrile mono 1550846 ZWKNLRXFUTWSOY-QPJJXVBHSA-N C1=CC=C(C=C1)/C=C/C#N
2-butanone 78-93-3 mono 6569 ZWEHNKRNPOVVGH-UHFFFAOYSA-N CCC(=O)C
Nonanethiol mono 15077 ZVEZMVFBMOOHAT-UHFFFAOYSA-N CCCCCCCCCS
Aldehydes mixture ZTQSAGDEMFDKMZ-UHFFFAOYSA-N JARKCYVAAOWB ... CCCC=O CCCCCC=O CCCCCCCC=O CCCCCCCCCC=O ...
butyraldehyde mono 261 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N CCCC=O
Citral dimethylacetal mono 5352435 ZSKAJFSSXURRGL-PKNBQFBNSA-N CC(=CCC/C(=C/C(OC)OC)/C)C
hexanol mono 8103 ZSIAUFGUXNUGDI-UHFFFAOYSA-N CCCCCCO
Geranyl butyrate mono 5355856 ZSBOMYJPSRFZAL-JLHYYAGUSA-N CCCC(=O)OC/C=C(\C)/CCC=C(C)C
p-anisaldehyde 123-11-5 mono 31244 ZRSNZINYAWTAHE-UHFFFAOYSA-N COC1=CC=C(C=C1)C=O
p-Menthene-8-thiol sum of isomers 6427135 ZQPCOAKGRYBBMR-UHFFFAOYSA-N CC1=CCC(CC1)C(C)(C)S
L-Histidinol 4836-52-6 mono 165271 ZQISRDCJNBUVMM-YFKPBYRVSA-N C1=C(NC=N1)C[C@@H](CO)N
2-octanone mono 8093 ZPVFWPFBNIEHGJ-UHFFFAOYSA-N CCCCCCC(=O)C
Methyl propyl trisulfide mono 5319765 ZOYASYRPGHCQHW-UHFFFAOYSA-N CCCSSSC
2-Phenylethanethiol mono 78126 ZMRFRBHYXOQLDK-UHFFFAOYSA-N C1=CC=C(C=C1)CCS
safrol mono 5144 ZMQAAUBTXCXRIC-UHFFFAOYSA-N C=CCC1=CC2=C(C=C1)OCO2
triethylamine mono 8471 ZMANZCXQSJIPKH-UHFFFAOYSA-N CCN(CC)CC
Civetone mono 5315941 ZKVZSBSZTMPBQR-UPHRSURJSA-N C1CCC/C=C\CCCCCCCC(=O)CCC1
(E,Z)-2,4-Nonadienal 21661-99-4 mono 6429282 ZHHYXNZJDGDGPJ-IGTJQSIKSA-N CCCC/C=C\C=C\C=O
trans,trans-2,4-Nonadienal mono 5283339 ZHHYXNZJDGDGPJ-BSWSSELBSA-N CCCC/C=C/C=C/C=O
Vernolide mono 5281508 ZGXVZQZFVYSUDU-ULYHCOEVSA-N CC(=C)C(=O)O[C@H]1C[C@]23[C@H](O2)CC/C(= ...
(e)-8-Cyclohexadecen-1-one mono 5362739 ZGEHHVDYDNXYMW-UPHRSURJSA-N C1CCC/C=C\CCCCCCC(=O)CCC1
(8E)-cyclohexadec-8-en-1-one mono 6365152 ZGEHHVDYDNXYMW-OWOJBTEDSA-N C1CCC/C=C/CCCCCCC(=O)CCC1
Skatole mono 6736 ZFRKQXVRDFCRJG-UHFFFAOYSA-N CC1=CNC2=CC=CC=C12
Cyclamal 103-95-7 sum of isomers 517827 ZFNVDHOSLNRHNN-UHFFFAOYSA-N CC(C)C1=CC=C(C=C1)CC(C)C=O
Estragole mono 8815 ZFMSMUAANRJZFM-UHFFFAOYSA-N COC1=CC=C(C=C1)CC=C