| SpectraBase Spectrum ID |
7AKVvv5Letm |
| Name |
2-(4-Acetyl-2-nitro-phenylsulfanyl)-N-naphthalen-2-yl-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.083078173 u |
| Formula |
C20H16N2O4S |
| InChI |
InChI=1S/C20H16N2O4S/c1-13(23)15-7-9-19(18(11-15)22(25)26)27-12-20(24)21-17-8-6-14-4-2-3-5-16(14)10-17/h2-11H,12H2,1H3,(H,21,24) |
| InChIKey |
MGMLMQCZPYUAHD-UHFFFAOYSA-N |
| Molecular Weight |
380.418 g/mol |
| SMILES |
C1=CC2=CC=C(NC(CSC=3C(N(=O)=O)=CC(C(C)=O)=CC3)=O)C=C2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898647 |
