New Database Available - Released on 23/03/2024.
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molecules
Showing 181 to 210 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
diphenyl ether 101-84-8 mono 7583 USIUVYZYUHIAEV-UHFFFAOYSA-N C1=CC=C(C=C1)OC2=CC=CC=C2
methyl dodecanoate 111-82-0 mono 8139 UQDUPQYQJKYHQI-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OC
p-tolyl isobutyrate mono 7685 UPPSFGGDKACIKP-UHFFFAOYSA-N CC1=CC=C(C=C1)OC(=O)C(C)C
cycloundecanone mono 13420 UPOSSYJVWXLPTA-UHFFFAOYSA-N C1CCCCCC(=O)CCCC1
scentenal 86803-90-9 sum of isomers 163529 UOGMZEGKCNHMBF-UHFFFAOYSA-N COC1CC2CC1C3C2CC(C3)C=O
sotolon 28664-35-9 sum of isomers 62835 UNYNVICDCJHOPO-UHFFFAOYSA-N CC1C(=C(C(=O)O1)O)C
(+)-carvone 6485-40-1 mono 16724 ULDHMXUKGWMISQ-VIFPVBQESA-N CC1=CC[C@@H](CC1=O)C(=C)C
Carvone sum of isomers 7439 ULDHMXUKGWMISQ-UHFFFAOYSA-N CC1=CCC(CC1=O)C(=C)C
L-Carvone d-Carvone cis-3-hexenol anis aldehyde methyl-beta-naphthyl ketone linalool mixture ULDHMXUKGWMISQ-SECBINFHSA-N ULDHMXUKGWMI ... CC1=CC[C@H](CC1=O)C(=C)C CC1=CC[C@@H](CC ...
(R)-Carvone mono 439570 ULDHMXUKGWMISQ-SECBINFHSA-N CC1=CC[C@H](CC1=O)C(=C)C
N-acetylvanilalanine sum of isomers 12681285 UKDKTHYZLXZOSS-UHFFFAOYSA-N CC(=O)NC(CC1=CC(=C(C=C1)O)OC)C(=O)O
benzyl isobutyrate mono 7646 UIKJRDSCEYGECG-UHFFFAOYSA-N CC(C)C(=O)OCC1=CC=CC=C1
Moskene mono 67005 UHWURQRPEIFIAK-UHFFFAOYSA-N CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C ...
Benzenes mixture UHOVQNZJYSORNB-UHFFFAOYSA-N HJWLCRVIBGQP ... C1=CC=CC=C1 C=CCC1=CC=CC=C1 C1=CC=C(C=C1 ...
benzene 71-43-2 mono 241 UHOVQNZJYSORNB-UHFFFAOYSA-N C1=CC=CC=C1
Sulcatone mono 9862 UHEPJGULSIKKTP-UHFFFAOYSA-N CC(=CCCC(=O)C)C
cis-3-hexenol trans-2-hexenal mixture UFLHIIWVXFIJGU-ARJAWSKDSA-N MBDOYVRWFFCF ... CC/C=C\CCO CCC/C=C/C=O
cis-3-hexen-1-ol 928-96-1 mono 5281167 UFLHIIWVXFIJGU-ARJAWSKDSA-N CC/C=C\CCO
Benzyl mercaptan mono 7509 UENWRTRMUIOCKN-UHFFFAOYSA-N C1=CC=C(C=C1)CS
Tetrahydro citral sum of isomers 110747 UCSIFMPORANABL-UHFFFAOYSA-N CC(C)CCCC(C)CC=O
2-Acetyl-3,5(6)-dimethylpyrazine mixture UCGOSAWBWFUKDT-UHFFFAOYSA-N JFUVDGXTDCVG ... CC1=CN=C(C(=N1)C)C(=O)C CC1=CN=C(C(=N1)C ...
diallyl sulfide 592-88-1 mono 11617 UBJVUCKUDDKUJF-UHFFFAOYSA-N C=CCSCC=C
Myrcene mono 31253 UAHWPYUMFXYFJY-UHFFFAOYSA-N CC(=CCCC(=C)C=C)C
Pentan-2,3-dione mono 11747 TZMFJUDUGYTVRY-UHFFFAOYSA-N CCC(=O)C(=O)C
piperonyl acetone mono 62098 TZJLGGWGVLADDN-UHFFFAOYSA-N CC(=O)CCC1=CC2=C(C=C1)OCO2
3-Sulfanyl-1hexanol sum of isomers 521348 TYZFMFVWHZKYSE-UHFFFAOYSA-N CCCC(CCO)S
Octanedioic acid mono 10457 TYFQFVWCELRYAO-UHFFFAOYSA-N C(CCCC(=O)O)CCC(=O)O
Cyclobutanecarboxylic acid mono 19494 TXWOGHSRPAYOML-UHFFFAOYSA-N C1CC(C1)C(=O)O
allyl cyclohexylpropionate mono 17617 TWXUTZNBHUWMKJ-UHFFFAOYSA-N C=CCOC(=O)CCC1CCCCC1
Pentyl propionate mono 12217 TWSRVQVEYJNFKQ-UHFFFAOYSA-N CCCCCOC(=O)CC