New Database Available - Released on 23/03/2024.
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molecules
Showing 31 to 60 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
(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
(1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane 18172-67-3 mono 440967 WTARULDDTDQWMU-IUCAKERBSA-N CC1([C@H]2CCC(=C)[C@@H]1C2)C
(2E,6Z)-Nona-2,6-dien-1-ol mono 5362833 AMXYRHBJZOVHOL-ODYTWBPASA-N CC/C=C\CC/C=C/CO
(2R/2S)-2-Methylbutylacetate, sum of isomers sum of isomers 22716858 DIVCBWJKVSFZKJ-UHFFFAOYSA-M CCC(C)CCC(=O)[O-]
(2R/2S)-4-methoxy-2,5-dimethylfuran-3(2H)-one sum of isomers 61325 SIMKGHMLPVDSJE-UHFFFAOYSA-N CC1C(=O)C(=C(O1)C)OC
(3R/3S)-3-Hydroxybutan-2-one, sum of isomers sum of isomers 179 ROWKJAVDOGWPAT-UHFFFAOYSA-N CC(C(=O)C)O
(3R/3S)-3-Methylnonane-2,4-dione sum of isomers 529481 BGVBGAIWXAXBLP-UHFFFAOYSA-N CCCCCC(=O)C(C)C(=O)C
(3R/3S)-3-Sulfanylpentan-2-one, sum of isomers sum of isomers 62237 SZECUQRKLXRGSJ-UHFFFAOYSA-N CCC(C(=O)C)S
(4-tert-butylphenoxy)acetaldehyde 72928-50-8 mono 166373 MNRZECIRFMLTEY-UHFFFAOYSA-N CC(C)(C)C1=CC=C(C=C1)OCC=O
(4R/4S)-γ-Decalactone, sum of isomers sum of isomers 12813 IFYYFLINQYPWGJ-UHFFFAOYSA-N CCCCCCC1CCC(=O)O1
(4R/4S)-γ-Dodecalactone, sum of isomers sum of isomers 16821 WGPCZPLRVAWXPW-UHFFFAOYSA-N CCCCCCCCC1CCC(=O)O1
(4R/4S)-γ-Nonalactone sum of isomers 7710 OALYTRUKMRCXNH-UHFFFAOYSA-N CCCCCC1CCC(=O)O1
(4R/4S)-γ-Octalactone, sum of isomers sum of isomers 7704 IPBFYZQJXZJBFQ-UHFFFAOYSA-N CCCCC1CCC(=O)O1
(4R/4S)-γ-Undecalactone, sum of isomers sum of isomers 7714 PHXATPHONSXBIL-UHFFFAOYSA-N CCCCCCCC1CCC(=O)O1
(5E)-3-methylcyclopentadec-5-en-1-one mono 9834606 NKMKFQCVDZVEJR-CSKARUKUSA-N CC1C/C=C/CCCCCCCCCC(=O)C1
(5R/5S)-δ-Dodecalactone, sum of isomers sum of isomers 12844 QRPLZGZHJABGRS-UHFFFAOYSA-N CCCCCCCC1CCCC(=O)O1
(5R/5S)-δ-Octalactone, sum of isomers sum of isomers 12777 FYTRVXSHONWYNE-UHFFFAOYSA-N CCCC1CCCC(=O)O1
(6Z)-6-undecenal mono 109374181 YBBNUDDZOWRHOD-WAYWQWQTSA-N CCCC/C=C\CCCCC=O
(8E)-cyclohexadec-8-en-1-one mono 6365152 ZGEHHVDYDNXYMW-OWOJBTEDSA-N C1CCC/C=C/CCCCCCC(=O)CCC1
(E)-2-Heptenal mono 5283316 NDFKTBCGKNOHPJ-AATRIKPKSA-N CCCC/C=C/C=O
(E)-2-Undecenal mono 5283356 PANBRUWVURLWGY-MDZDMXLPSA-N CCCCCCCC/C=C/C=O
(E)-3-(4-Hydroxyphenyl)prop-2-enoic acid 501-98-4 mono 637542 NGSWKAQJJWESNS-ZZXKWVIFSA-N C1=CC(=CC=C1/C=C/C(=O)O)O
(E)-3-methyl-2-hexenoic acid mono 6443739 NTWSIWWJPQHFTO-AATRIKPKSA-N CCC/C(=C/C(=O)O)/C
(E)-3-Methylcyclotetradeca-5-ene-1-one 259854-70-1 mono 66823518 ZFGBKXBPHOUSJX-VQHVLOKHSA-N CC1C/C=C/CCCCCCCCC(=O)C1
(e)-8-Cyclohexadecen-1-one mono 5362739 ZGEHHVDYDNXYMW-UPHRSURJSA-N C1CCC/C=C\CCCCCCC(=O)CCC1
(E)-alpha-Ionone mono 5282108 UZFLPKAIBPNNCA-BQYQJAHWSA-N CC1=CCCC(C1/C=C/C(=O)C)(C)C
(E)-beta-farnesene sum of isomers 10407 JSNRRGGBADWTMC-UHFFFAOYSA-N CC(=CCCC(=CCCC(=C)C=C)C)C
(E)-beta-Ionone mono 638014 PSQYTAPXSHCGMF-BQYQJAHWSA-N CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
(E,Z)-2,4-Nonadienal 21661-99-4 mono 6429282 ZHHYXNZJDGDGPJ-IGTJQSIKSA-N CCCC/C=C\C=C\C=O
(E,Z)-2,6-Nonadienol mono 5320191 AMXYRHBJZOVHOL-DYWGDJMRSA-N CC/C=C/CC/C=C/CO