| SpectraBase Spectrum ID |
2ADIUxREJIc |
| Name |
3-Cyclohexene-1-carboxylic acid, 3-acetyl-4-(phenylthio)-, methyl ester |
| Alternate Name(s) |
methyl 3-acetyl-4-(phenylsulfanyl)-3-cyclohexene-1-carboxylate
Methyl 3-acetyl-4-(phenylthio)-3-cyclohexecarboxylate |
| CAS Registry Number |
116503-29-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O3S |
| InChI |
InChI=1S/C16H18O3S/c1-11(17)14-10-12(16(18)19-2)8-9-15(14)20-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3 |
| InChIKey |
BOPJIILZDZZNMY-UHFFFAOYSA-N |
| Molecular Weight |
290.377 g/mol |
| SMILES |
C1(=C(Sc2ccccc2)CCC(C(=O)OC)C1)C(=O)C |
| SPLASH |
splash10-000x-0790000000-e91374ee4da35a58bb78 |
| Source of Spectrum |
J-53-5308-10 |
| Wiley ID |
1293536 |
