| SpectraBase Spectrum ID |
JDftZifH9sj |
| Name |
N-(3-Nitro-thiobenzoyl)-pyrrolidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.061948806 u |
| Formula |
C11H12N2O2S |
| InChI |
InChI=1S/C11H12N2O2S/c14-13(15)10-5-3-4-9(8-10)11(16)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2 |
| InChIKey |
VVIAEZJEBZIPIK-UHFFFAOYSA-N |
| Molecular Weight |
236.289 g/mol |
| SMILES |
C1CCCN1C(C1=CC(=CC=C1)N(=O)=O)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836781 |
