SpectraBase Spectrum ID |
1bvJWc3uKMO |
Name |
Benzene, 1-(2,2-dimethoxyethoxy)-2-nitro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.079372518 u |
Formula |
C10H13NO5 |
InChI |
InChI=1S/C10H13NO5/c1-14-10(15-2)7-16-9-6-4-3-5-8(9)11(12)13/h3-6,10H,7H2,1-2H3 |
InChIKey |
UTNHSLPJSLQGMH-UHFFFAOYSA-N |
Molecular Weight |
227.216 g/mol |
SMILES |
C=1(N(=O)=O)C(OCC(OC)OC)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84472 |