| SpectraBase Spectrum ID |
LSwQ8V3ZLiw |
| Name |
N-(4-Fluorophenyl)ethanimidothioic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
183.051798663 u |
| Formula |
C9H10FNS |
| InChI |
InChI=1S/C9H10FNS/c1-7(12-2)11-9-5-3-8(10)4-6-9/h3-6H,1-2H3/b11-7+ |
| InChIKey |
WOJDPTJKNZJYMY-YRNVUSSQSA-N |
| Molecular Weight |
183.244 g/mol |
| SMILES |
C1(F)=CC=C(C=C1)\N=C/(SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934259 |
