New Database Available - Released on 23/03/2024.
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molecules
Showing 241 to 270 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
(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-Methyloctanoic acid sum of isomers 62089 LEGGANXCVQPIAI-UHFFFAOYSA-N CCCCC(C)CCC(=O)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
(-)-cis-Whiskey lactone mono 11094871 WNVCMFHPRIBNCW-YUMQZZPRSA-N CCCC[C@H]1[C@H](CC(=O)O1)C
Abhexone sum of isomers 61199 IUFQZPBIRYFPFD-UHFFFAOYSA-N CCC1C(=C(C(=O)O1)O)C
(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
(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
(R)-α-Phellandrene mono 442482 OGLDWXZKYODSOB-SNVBAGLBSA-N CC1=CC[C@@H](C=C1)C(C)C
(R/S)-Limonene, sum of isomers sum of isomers 22311 XMGQYMWWDOXHJM-UHFFFAOYSA-N CC1=CCC(CC1)C(=C)C
(Z)-2-Nonenal mono 5354833 BSAIUMLZVGUGKX-FPLPWBNLSA-N CCCCCC/C=C\C=O
(Z)-2-Octenal mono 6427080 LVBXEMGDVWVTGY-SREVYHEPSA-N CCCCC/C=C\C=O
(Z)-3-Hexen-1-yl acetate mono 5363388 NPFVOOAXDOBMCE-PLNGDYQASA-N CC/C=C\CCOC(=O)C
(Z)-3-Hexenal mono 643941 GXANMBISFKBPEX-ARJAWSKDSA-N CC/C=C\CC=O
(Z)-4-Heptenal mono 5362814 VVGOCOMZRGWHPI-ARJAWSKDSA-N CC/C=C\CCC=O
(Z)-Octa-1,5-dien-3-one mono 6429343 VWYBQOFZVSNDAW-WAYWQWQTSA-N CC/C=C\CC(=O)C=C
1,1-Diethoxyethane mono 7765 DHKHKXVYLBGOIT-UHFFFAOYSA-N CCOC(C)OCC
piperonal mono 8438 SATCULPHIDQDRE-UHFFFAOYSA-N C1OC2=C(O1)C=C(C=C2)C=O
12-Methyltridecanal mono 3018619 OQWNKUAZQSLNSR-UHFFFAOYSA-N CC(C)CCCCCCCCCCC=O
Estragole mono 8815 ZFMSMUAANRJZFM-UHFFFAOYSA-N COC1=CC=C(C=C1)CC=C
p-Anethole mono 637563 RUVINXPYWBROJD-ONEGZZNKSA-N C/C=C/C1=CC=C(C=C1)OC
1-Methyl-4-(prop-1-en-2-yl)benzene mono 62385 MMSLOZQEMPDGPI-UHFFFAOYSA-N CC1=CC=C(C=C1)C(=C)C
2,4-Dimethylphenol mono 7771 KUFFULVDNCHOFZ-UHFFFAOYSA-N CC1=CC(=C(C=C1)O)C
2,6-Dimethoxyphenol mono 7041 KLIDCXVFHGNTTM-UHFFFAOYSA-N COC1=C(C(=CC=C1)OC)O