| SpectraBase Spectrum ID |
BaeKoFa6mFp |
| Name |
2-(3,4-Dimethoxyphenyl)nitroethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.084457899 u |
| Formula |
C10H13NO4 |
| InChI |
InChI=1S/C10H13NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-4,7H,5-6H2,1-2H3 |
| InChIKey |
OOFXLZSSEQKLRE-UHFFFAOYSA-N |
| Molecular Weight |
211.217 g/mol |
| SMILES |
C1(=C(C=CC(=C1)CC[N+](=O)[O-])OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968196 |
