| SpectraBase Spectrum ID |
5VkSEHQPnFj |
| Name |
3-Nitro-N-(phenylmethyl)benzenecarbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.061948806 u |
| Formula |
C14H12N2O2S |
| InChI |
InChI=1S/C14H12N2O2S/c17-16(18)13-8-4-7-12(9-13)14(19)15-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19) |
| InChIKey |
YDTOIHIANCWDMJ-UHFFFAOYSA-N |
| SMILES |
C1(N(=O)=O)=CC(C(NCC2=CC=CC=C2)=S)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964031 |
