| SpectraBase Spectrum ID |
7oxSFp7OHAJ |
| Name |
Carbamothioic acid, [[(4-chlorobenzoyl)amino](methylthio)methylene]-, S-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.995047648 u |
| Formula |
C11H11ClN2O2S2 |
| InChI |
InChI=1S/C11H11ClN2O2S2/c1-17-10(14-11(16)18-2)13-9(15)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,13,14,15,16) |
| InChIKey |
FGLJOTCZXSAUFW-UHFFFAOYSA-N |
| Molecular Weight |
302.794 g/mol |
| SMILES |
CS\C(=N/C(=O)C1=CC=C(Cl)C=C1)NC(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847571 |
methylene]-, S-methyl ester](/api/spectrum/7oxSFp7OHAJ/structure.png?h=300&w=458 "Carbamothioic acid, [[(4-chlorobenzoyl)amino](methylthio)methylene]-, S-methyl ester")
