| SpectraBase Spectrum ID |
IrGu1Yizlqn |
| Name |
N,N-Diethyl-2-(3-nitrophenyl)ethanethioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.093248935 u |
| Formula |
C12H16N2O2S |
| InChI |
InChI=1S/C12H16N2O2S/c1-3-13(4-2)12(17)9-10-6-5-7-11(8-10)14(15)16/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
IQBFLUBKLQUCFA-UHFFFAOYSA-N |
| Molecular Weight |
252.332 g/mol |
| SMILES |
C(CC=1C=CC=C(N(=O)=O)C1)(=S)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88379 |
