| SpectraBase Spectrum ID |
DC91xvyrB2I |
| Name |
1-Nitro-2-nosyl-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.010307154 u |
| Formula |
C12H8N2O6S |
| InChI |
InChI=1S/C12H8N2O6S/c15-13(16)9-5-7-10(8-6-9)21(19,20)12-4-2-1-3-11(12)14(17)18/h1-8H |
| InChIKey |
LIDWXOYWLWNIJE-UHFFFAOYSA-N |
| Molecular Weight |
308.264 g/mol |
| SMILES |
C=1(S(C=2C=CC(N(=O)=O)=CC2)(=O)=O)C(N(=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938455 |
