| SpectraBase Compound ID | FvwvBMinsFw |
|---|---|
| InChI | InChI=1S/C13H12ClNOS/c1-16-12-8-11(15)10(14)7-13(12)17-9-5-3-2-4-6-9/h2-8H,15H2,1H3 |
| InChIKey | FLOVZJYRXIPLRB-UHFFFAOYSA-N |
| Mol Weight | 265.76 g/mol |
| Molecular Formula | C13H12ClNOS |
| Exact Mass | 265.032813 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1XRXeJWH2g5 |
|---|---|
| Name | 2-Chloro-5-methoxy-4-(phenylthio)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.032812883 u |
| Formula | C13H12ClNOS |
| InChI | InChI=1S/C13H12ClNOS/c1-16-12-8-11(15)10(14)7-13(12)17-9-5-3-2-4-6-9/h2-8H,15H2,1H3 |
| InChIKey | FLOVZJYRXIPLRB-UHFFFAOYSA-N |
| SMILES | C=1(C=C(Cl)C(=CC1OC)N)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918763 |