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
3-Mercapto-2-methyloctan-1-ol sum of isomers CCCCCC(C(C)CO)S
5-Cyclohexadecen-1-one mono 162268 ABRIMXGLNHCLIP-UHFFFAOYSA-N C1CCCCCC(=O)CCCC=CCCCC1
Velvione mono 5362736 ABRIMXGLNHCLIP-VURMDHGXSA-N C1CCCCCC(=O)CCC/C=C\CCCC1
2-methyl-2-heptanol mono 12242 ACBMYYVZWKYLIP-UHFFFAOYSA-N CCCCCC(C)(C)O
Tiglic aldehyde mono 5321950 ACWQBUSCFPJUPN-HWKANZROSA-N C/C=C(\C)/C=O
2-Coumaranone mono 68382 ACZGCWSMSTYWDQ-UHFFFAOYSA-N C1C2=CC=CC=C2OC1=O
Androstenedione 23139 mono 6128 AEMFNILZOJDQLW-QAGGRKNESA-N C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@] ...
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
benzyl acetone mono 17355 AKGGYBADQZYZPD-UHFFFAOYSA-N CC(=O)CCC1=CC=CC=C1
D-Muscone mono 7160827 ALHUZKCOMYUFRB-HNNXBMFYSA-N C[C@H]1CCCCCCCCCCCCC(=O)C1
L-Muscone mono 7160826 ALHUZKCOMYUFRB-OAHLLOKOSA-N C[C@@H]1CCCCCCCCCCCCC(=O)C1
(+/-)-Muscone 541-91-3 sum of isomers 10947 ALHUZKCOMYUFRB-UHFFFAOYSA-N CC1CCCCCCCCCCCCC(=O)C1
Dipropyl disulfide mono 12377 ALVPFGSHPUPROW-UHFFFAOYSA-N CCCSSCCC
1,9-nonanediol mono 19835 ALVZNPYWJMLXKV-UHFFFAOYSA-N C(CCCCO)CCCCO
isobutyraldehyde 78-84-2 mono 6561 AMIMRNSIRUDHCM-UHFFFAOYSA-N CC(C)C=O
pentanol mono 6276 AMQJEAYHLZJPGS-UHFFFAOYSA-N CCCCCO
(E,Z)-2,6-Nonadienol mono 5320191 AMXYRHBJZOVHOL-DYWGDJMRSA-N CC/C=C/CC/C=C/CO
(2E,6Z)-Nona-2,6-dien-1-ol mono 5362833 AMXYRHBJZOVHOL-ODYTWBPASA-N CC/C=C\CC/C=C/CO
Hexyl acetate mono 8908 AOGQPLXWSUTHQB-UHFFFAOYSA-N CCCCCCOC(=O)C
3-pentanol 584-02-1 mono 11428 AQIXEPGDORPWBJ-UHFFFAOYSA-N CCC(CC)O
5-methylhept-2-en-4-one mono 5362588 ARJWAURHQDJJAC-GQCTYLIASA-N CCC(C)C(=O)/C=C/C
2,5-dimethylfuran-3-one sum of isomers 85730 ASOSVCXGWPDUGN-UHFFFAOYSA-N CC1C(=O)C=C(O1)C
Octyl formate mono 8176 AVBRYQRTMPHARE-UHFFFAOYSA-N CCCCCCCCOC=O
beta-methylphenylethylamine sum of isomers 11398 AXORVIZLPOGIRG-UHFFFAOYSA-N CC(CN)C1=CC=CC=C1
(+)-dihydrocarvone 5524-05-0 mono 22227 AZOCECCLWFDTAP-RKDXNWHRSA-N C[C@@H]1CC[C@H](CC1=O)C(=C)C
(+)-Dihydrocarvone sum of isomers 24473 AZOCECCLWFDTAP-UHFFFAOYSA-N CC1CCC(CC1=O)C(=C)C
5,5-Dimethyl-1,3-cyclohexanedione 126-81-8 mono 31358 BADXJIPKFRBFOT-UHFFFAOYSA-N CC1(CC(=O)CC(=O)C1)C
CARVEOL sum of isomers 7438 BAVONGHXFVOKBV-UHFFFAOYSA-N CC1=CCC(CC1O)C(=C)C
(-)-Carveol mono 2724032 BAVONGHXFVOKBV-YHMJZVADSA-N CC1=CC[C@H](CC1O)C(=C)C
heptanol mono 8129 BBMCTIGTTCKYKF-UHFFFAOYSA-N CCCCCCCO