New Database Available - Released on 23/03/2024.
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molecules
Showing 511 to 540 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
2-Methylvaleric acid sum of isomers 7341 OVBFMEVBMNZIBR-UHFFFAOYSA-N CCCC(C)C(=O)O
Citric acid mono 311 KRKNYBCHXYNGOX-UHFFFAOYSA-N C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Benzoic acid mono 243 WPYMKLBDIGXBTP-UHFFFAOYSA-N C1=CC=C(C=C1)C(=O)O
heliotropyl acetone mono 6040503 XIYPXOFSURQTTJ-NSCUHMNNSA-N CC(=O)/C=C/C1=CC2=C(C=C1)OCO2
Syringic aldehyde mono 8655 KCDXJAYRVLXPFO-UHFFFAOYSA-N COC1=CC(=CC(=C1O)OC)C=O
Ethyleugenol mono 6429690 OTMFQLIUPDESAI-UHFFFAOYSA-N CCOC1=C(C=C(C=C1)CC=C)OC
(Z)-4-undecenal mono 5362881 QGNDNDFXCNBMKI-FPLPWBNLSA-N CCCCCC/C=C\CCC=O
(6Z)-6-undecenal mono 109374181 YBBNUDDZOWRHOD-WAYWQWQTSA-N CCCC/C=C\CCCCC=O
(Z)-4-nonenal mono 5352492 QPULDJYQYDGZEI-WAYWQWQTSA-N CCCC/C=C\CCC=O
(-)-Camphene mono 440966 CRPUJAZIXJMDBK-BDAKNGLRSA-N CC1([C@H]2CC[C@H](C2)C1=C)C
(-)-Dihydrocarveol mono 443163 KRCZYMFUWVJCLI-OPRDCNLKSA-N C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C
(-)-limonene oxide mono 10953718 CCEFMUBVSUDRLG-IDKOKCKLSA-N CC(=C)[C@H]1CCC2(C(C1)O2)C
(-)-Perillaaldehyde mono 2724159 RUMOYJJNUMEFDD-SNVBAGLBSA-N CC(=C)[C@H]1CCC(=CC1)C=O
(+)-Camphene mono 92221 CRPUJAZIXJMDBK-DTWKUNHWSA-N CC1([C@@H]2CC[C@@H](C2)C1=C)C
(+)-Dihydrocarveol mono 89755 KRCZYMFUWVJCLI-GUBZILKMSA-N C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C
(+)-Limonene oxide,mixture of cis and trans sum of isomers 91496 CCEFMUBVSUDRLG-UHFFFAOYSA-N CC(=C)C1CCC2(C(C1)O2)C
(+)-Perillaaldehyde mono 1548901 RUMOYJJNUMEFDD-JTQLQIEISA-N CC(=C)[C@@H]1CCC(=CC1)C=O
Diethyl sulfide mono 9609 LJSQFQKUNVCTIA-UHFFFAOYSA-N CCSCC
1,9-nonanediol mono 19835 ALVZNPYWJMLXKV-UHFFFAOYSA-N C(CCCCO)CCCCO
2-bromophenol mono 7244 VADKRMSMGWJZCF-UHFFFAOYSA-N C1=CC=C(C(=C1)O)Br
Tetrahydropyran mono 8894 DHXVGJBLRPWPCS-UHFFFAOYSA-N C1CCOCC1
alpha-Amylcinnamaldehyde dimethyl acetal mono 6005821 QCHZKUPVENJLAW-FYWRMAATSA-N CCCCC/C(=C\C1=CC=CC=C1)/C(OC)OC
Benzaldehyde dimethyl acetal mono 62375 HEVMDQBCAHEHDY-UHFFFAOYSA-N COC(C1=CC=CC=C1)OC
Pentamethylbenzaldehyde mono 263712 RWOZGGOKRKSHKN-UHFFFAOYSA-N CC1=C(C(=C(C(=C1C)C)C=O)C)C
beta-Damascone sum of isomers 32052 BGTBFNDXYDYBEY-UHFFFAOYSA-N CC=CC(=O)C1=C(CCCC1(C)C)C
Bis(2-methyl-3-furyl)disulphide) mono 526624 OHDFENKFSKIFBJ-UHFFFAOYSA-N CC1=C(C=CO1)SSC2=C(OC=C2)C
calone mono 120101 SWUIQEBPZIHZQS-UHFFFAOYSA-N CC1=CC2=C(C=C1)OCC(=O)CO2
Cedryl acetate sum of isomers 240121 HQKQRXZEXPXXIG-UHFFFAOYSA-N CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C
cis-6-Nonenal mono 5362720 RTNPCOBSXBGDMO-ARJAWSKDSA-N CC/C=C\CCCCC=O
Cyclobutanecarboxylic acid mono 19494 TXWOGHSRPAYOML-UHFFFAOYSA-N C1CC(C1)C(=O)O