New Database Available - Released on 23/03/2024.
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molecules
Showing 421 to 450 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
menthol sum of isomers 1254 NOOLISFMXDJSKH-UHFFFAOYSA-N CC1CCC(C(C1)O)C(C)C
thymol mono 6989 MGSRCZKZVOBKFT-UHFFFAOYSA-N CC1=CC(=C(C=C1)C(C)C)O
Trans-cinnamic acid mono 444539 WBYWAXJHAXSJNI-VOTSOKGWSA-N C1=CC=C(C=C1)/C=C/C(=O)O
benzaldehyde mono 240 HUMNYLRZRPPJDN-UHFFFAOYSA-N C1=CC=C(C=C1)C=O
(+/-)-citronellal sum of isomers 7794 NEHNMFOYXAPHSD-UHFFFAOYSA-N CC(CCC=C(C)C)CC=O
2-octanone mono 8093 ZPVFWPFBNIEHGJ-UHFFFAOYSA-N CCCCCCC(=O)C
3-octanone mono 246728 RHLVCLIPMVJYKS-UHFFFAOYSA-N CCCCCC(=O)CC
3-nonanone mono 61235 IYTXKIXETAELAV-UHFFFAOYSA-N CCCCCCC(=O)CC
2-decanone mono 12741 ZAJNGDIORYACQU-UHFFFAOYSA-N CCCCCCCCC(=O)C
2-dodecanone mono 22556 LSKONYYRONEBKA-UHFFFAOYSA-N CCCCCCCCCCC(=O)C
Sulcatone mono 9862 UHEPJGULSIKKTP-UHFFFAOYSA-N CC(=CCCC(=O)C)C
piperonyl acetone mono 62098 TZJLGGWGVLADDN-UHFFFAOYSA-N CC(=O)CCC1=CC2=C(C=C1)OCO2
hedione sum of isomers 102861 KVWWIYGFBYDJQC-UHFFFAOYSA-N CCCCCC1C(CCC1=O)CC(=O)OC
camphor sum of isomers 2537 DSSYKIVIOFKYAU-UHFFFAOYSA-N CC1(C2CCC1(C(=O)C2)C)C
ethyl heptanoate mono 7797 TVQGDYNRXLTQAP-UHFFFAOYSA-N CCCCCCC(=O)OCC
ethyl nonanoate mono 31251 BYEVBITUADOIGY-UHFFFAOYSA-N CCCCCCCCC(=O)OCC
methyl hexanoate mono 7824 NUKZAGXMHTUAFE-UHFFFAOYSA-N CCCCCC(=O)OC
methyl heptanoate mono 7826 XNCNNDVCAUWAIT-UHFFFAOYSA-N CCCCCCC(=O)OC
methyl nonanoate mono 15606 IJXHLVMUNBOGRR-UHFFFAOYSA-N CCCCCCCCC(=O)OC
S-methyl thiobutanoate mono 62444 GRLJIIJNZJVMGP-UHFFFAOYSA-N CCCC(=O)SC
thiazol mono 9256 FZWLAAWBMGSTSO-UHFFFAOYSA-N C1=CSC=N1
benzothiazol mono 7222 IOJUPLGTWVMSFF-UHFFFAOYSA-N C1=CC=C2C(=C1)N=CS2
indol mono 798 SIKJAQJRHWYJAI-UHFFFAOYSA-N C1=CC=C2C(=C1)C=CN2
safrol mono 5144 ZMQAAUBTXCXRIC-UHFFFAOYSA-N C=CCC1=CC2=C(C=C1)OCO2
Trans-2-octenal mono 5283324 LVBXEMGDVWVTGY-VOTSOKGWSA-N CCCCC/C=C/C=O
trans,trans-2,4-octadienal mono 5283329 DVVATNQISMINCX-YTXTXJHMSA-N CCC/C=C/C=C/C=O
2,5,7-trimethyloct-2-enal sum of isomers 85782202 LCLLDHVSJPTTSF-UHFFFAOYSA-N CC(C)CC(C)CC=C(C)C=O
(+)-fenchone mono 1201521 LHXDLQBQYFFVNW-XCBNKYQSSA-N C[C@]12CC[C@H](C1)C(C2=O)(C)C
(-)-rose oxide mono 7093102 CZCBTSFUTPZVKJ-ZJUUUORDSA-N C[C@@H]1CCO[C@H](C1)C=C(C)C
(-)-camphor mono 444294 DSSYKIVIOFKYAU-OIBJUYFYSA-N C[C@]12CC[C@H](C1(C)C)CC2=O