New Database Available - Released on 23/03/2024.
banner
molecules
Showing 121 to 150 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
2-Phenylethanol mono 6054 WRMNZCZEMHIOCP-UHFFFAOYSA-N C1=CC=C(C=C1)CCO
amyl hexanoate mono 10886 WRFZKAGPPQGDDQ-UHFFFAOYSA-N CCCCCC(=O)OCCCCC
Tetrahydromyrcenol sum of isomers 86751 WRFXXJKURVTLSY-UHFFFAOYSA-N CCC(C)CCCC(C)(C)O
Dimethyl disulfide mono 12232 WQOXQRCZOLPYPM-UHFFFAOYSA-N CSSC
pentadecanoic acid 1002-84-2 mono 13849 WQEPLUUGTLDZJY-UHFFFAOYSA-N CCCCCCCCCCCCCCC(=O)O
butanethiol mono 8012 WQAQPCDUOCURKW-UHFFFAOYSA-N CCCCS
Benzoic acid mono 243 WPYMKLBDIGXBTP-UHFFFAOYSA-N C1=CC=C(C=C1)C(=O)O
1-octyl-2-pyrrolidone mono 3033871 WPPOGHDFAVQKLN-UHFFFAOYSA-N CCCCCCCCN1CCCC1=O
Hydroxy-citronellal sum of isomers 7888 WPFVBOQKRVRMJB-UHFFFAOYSA-N CC(CCCC(C)(C)O)CC=O
4-octanol sum of isomers 11515 WOFPPJOZXUTRAU-UHFFFAOYSA-N CCCCC(CCC)O
5-Bromopentanoic acid mono 16368 WNXNUPJZWYOKMW-UHFFFAOYSA-N C(CCBr)CC(=O)O
(-)-cis-Whiskey lactone mono 11094871 WNVCMFHPRIBNCW-YUMQZZPRSA-N CCCC[C@H]1[C@H](CC(=O)O1)C
Whiskey lactone sum of isomers 62900 WNVCMFHPRIBNCW-UHFFFAOYSA-N CCCCC1C(CC(=O)O1)C
adipic acid mono 196 WNLRTRBMVRJNCN-UHFFFAOYSA-N C(CCC(=O)O)CC(=O)O
2-bromovaleric acid sum of isomers 11446 WMFATTFQNRPXBQ-UHFFFAOYSA-N CCCC(C(=O)O)Br
2-Phenylacetic acid 103-82-2 mono 999 WLJVXDMOQOGPHL-UHFFFAOYSA-N C1=CC=C(C=C1)CC(=O)O
phenylacetate mono 4409936 WLJVXDMOQOGPHL-UHFFFAOYSA-M C1=CC=C(C=C1)CC(=O)[O-]
Heptanedioic acid mono 385 WLJVNTCWHIRURA-UHFFFAOYSA-N C(CCC(=O)O)CCC(=O)O
2-methyl-butyric acid sum of isomers 8314 WLAMNBDJUVNPJU-UHFFFAOYSA-N CCC(C)C(=O)O
2-Methoxypyrazine mono 18467 WKSXRWSOSLGSTN-UHFFFAOYSA-N COC1=NC=CN=C1
vanillic acid mono 8468 WKOLLVMJNQIZCI-UHFFFAOYSA-N COC1=C(C=CC(=C1)C(=O)O)O
Cinnamyl acetate mono 5282110 WJSDHUCWMSHDCR-VMPITWQZSA-N CC(=O)OC/C=C/C1=CC=CC=C1
(4R/4S)-γ-Dodecalactone, sum of isomers sum of isomers 16821 WGPCZPLRVAWXPW-UHFFFAOYSA-N CCCCCCCCC1CCC(=O)O1
cineole 470-82-6 mono 2758 WEEGYLXZBRQIMU-UHFFFAOYSA-N CC1(C2CCC(O1)(CC2)C)C
Ethyl 2-methylpropanoate mono 7342 WDAXFOBOLVPGLV-UHFFFAOYSA-N CCOC(=O)C(C)C
Trans-cinnamic acid mono 444539 WBYWAXJHAXSJNI-VOTSOKGWSA-N C1=CC=C(C=C1)/C=C/C(=O)O
(S)-(-)-1-phenylethanol mono 443135 WAPNOHKVXSQRPX-ZETCQYMHSA-N C[C@@H](C1=CC=CC=C1)O
(R)-(+)-1-phenylethanol mono 637516 WAPNOHKVXSQRPX-SSDOTTSWSA-N C[C@H](C1=CC=CC=C1)O
3-methyl-3-nonanol sum of isomers 89428 VZBFPIMCUSPDLS-UHFFFAOYSA-N CCCCCCC(C)(CC)O
4-Hydroxycoumarin mono 54682930 VXIXUWQIVKSKSA-UHFFFAOYSA-N C1=CC=C2C(=C1)C(=CC(=O)O2)O