| SpectraBase Spectrum ID |
HXpCuoYNirk |
| Name |
4-acetamido-3-(phenylthio)-1-cyclohex-3-enecarboxylic acid methyl ester |
| Alternate Name(s) |
4-acetamido-3-(phenylthio)cyclohex-3-ene-1-carboxylic acid methyl ester
methyl 4-acetamido-3-phenylsulfanyl-cyclohex-3-ene-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO3S |
| InChI |
InChI=1S/C16H19NO3S/c1-11(18)17-14-9-8-12(16(19)20-2)10-15(14)21-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,17,18) |
| InChIKey |
HMVMADMAXOPFTH-UHFFFAOYSA-N |
| Molecular Weight |
305.392 g/mol |
| SMILES |
N(C1=C(Sc2ccccc2)CC(C(=O)OC)CC1)C(=O)C |
| SPLASH |
splash10-0002-0901000000-326d90ae7badffc018a6 |
| Source of Spectrum |
KC-0-1696-8 |
| Wiley ID |
822692 |
