| SpectraBase Spectrum ID |
Bb687SpvxxH |
| Name |
4-Acetamido-2'-nitro-5'-chlorodiphenylsulfide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.017891093 u |
| Formula |
C14H11ClN2O3S |
| InChI |
InChI=1S/C14H11ClN2O3S/c1-9(18)16-11-3-5-12(6-4-11)21-14-8-10(15)2-7-13(14)17(19)20/h2-8H,1H3,(H,16,18) |
| InChIKey |
KKUMAXNFHLCXRC-UHFFFAOYSA-N |
| Molecular Weight |
322.766 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(Cl)C=C1SC1=CC=C(C=C1)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962946 |
