New Database Available - Released on 23/03/2024.
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molecules
Showing 451 to 480 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
(R)-(+)-1-phenylethanol mono 637516 WAPNOHKVXSQRPX-SSDOTTSWSA-N C[C@H](C1=CC=CC=C1)O
(S)-(+)-2-phenylbutyric acid mono 785329 OFJWFSNDPCAWDK-VIFPVBQESA-N CC[C@@H](C1=CC=CC=C1)C(=O)O
(R)-(-)-2-phenylbutyric acid mono 785330 OFJWFSNDPCAWDK-SECBINFHSA-N CC[C@H](C1=CC=CC=C1)C(=O)O
2-hexanone mono 11583 QQZOPKMRPOGIEB-UHFFFAOYSA-N CCCCC(=O)C
2-butanol sum of isomers 6568 BTANRVKWQNVYAZ-UHFFFAOYSA-N CCC(C)O
(R)-(-)-2-heptanol mono 6992611 CETWDUZRCINIHU-SSDOTTSWSA-N CCCCC[C@@H](C)O
2-methyl-2-heptanol mono 12242 ACBMYYVZWKYLIP-UHFFFAOYSA-N CCCCCC(C)(C)O
(S)-(+)-2-octanol mono 2723888 SJWFXCIHNDVPSH-QMMMGPOBSA-N CCCCCC[C@H](C)O
(S)-(+)-2-butanol mono 444683 BTANRVKWQNVYAZ-BYPYZUCNSA-N CC[C@H](C)O
(S)-(+)-2-heptanol mono 2724897 CETWDUZRCINIHU-ZETCQYMHSA-N CCCCC[C@H](C)O
(S)-(-)-1-phenylethanol mono 443135 WAPNOHKVXSQRPX-ZETCQYMHSA-N C[C@@H](C1=CC=CC=C1)O
methyl propionate mono 11124 RJUFJBKOKNCXHH-UHFFFAOYSA-N CCC(=O)OC
tert-butyl propionate mono 88561 JAELLLITIZHOGQ-UHFFFAOYSA-N CCC(=O)OC(C)(C)C
propyl butyrate mono 7770 HUAZGNHGCJGYNP-UHFFFAOYSA-N CCCC(=O)OCCC
isobutylamine mono 6558 KDSNLYIMUZNERS-UHFFFAOYSA-N CC(C)CN
phenetole mono 7674 DLRJIFUOBPOJNS-UHFFFAOYSA-N CCOC1=CC=CC=C1
butyl methyl ether mono 12338 CXBDYQVECUFKRK-UHFFFAOYSA-N CCCCOC
(R)-(+)-pulegone mono 442495 NZGWDASTMWDZIW-MRVPVSSYSA-N C[C@@H]1CCC(=C(C)C)C(=O)C1
isopentylamine mono 7894 BMFVGAAISNGQNM-UHFFFAOYSA-N CC(C)CCN
Gamma-Caprolactone sum of isomers 12756 JBFHTYHTHYHCDJ-UHFFFAOYSA-N CCC1CCC(=O)O1
octene mono 8125 KWKAKUADMBZCLK-UHFFFAOYSA-N CCCCCCC=C
allyl heptanoate mono 8878 SJWKGDGUQTWDRV-UHFFFAOYSA-N CCCCCCC(=O)OCC=C
a-amylcinnamaldehyde mono 1623625 HMKKIXGYKWDQSV-SDNWHVSQSA-N CCCCC/C(=C\C1=CC=CC=C1)/C=O
amyl hexanoate mono 10886 WRFZKAGPPQGDDQ-UHFFFAOYSA-N CCCCCC(=O)OCCCCC
benzyl acetate mono 8785 QUKGYYKBILRGFE-UHFFFAOYSA-N CC(=O)OCC1=CC=CC=C1
benzyl salicylate mono 8363 ZCTQGTTXIYCGGC-UHFFFAOYSA-N C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
butyl heptanoate mono 21596 YPQSPODHFDGVAC-UHFFFAOYSA-N CCCCCCC(=O)OCCCC
(+)-camphor mono 159055 DSSYKIVIOFKYAU-XCBNKYQSSA-N C[C@@]12CC[C@@H](C1(C)C)CC2=O
cedryl acetate mono 13918856 HQKQRXZEXPXXIG-DTWJZALFSA-N C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3) ...
citronellol sum of isomers 8842 QMVPMAAFGQKVCJ-UHFFFAOYSA-N CC(CCC=C(C)C)CCO