| SpectraBase Spectrum ID |
7dzVxDvXYNU |
| Name |
2,4-Dimethoxy-alpha-methyl-beta-nitrostyrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.084457899 u |
| Formula |
C11H13NO4 |
| InChI |
InChI=1S/C11H13NO4/c1-8(7-12(13)14)10-5-4-9(15-2)6-11(10)16-3/h4-7H,1-3H3/b8-7- |
| InChIKey |
KRMCHNHKZRGIQH-FPLPWBNLSA-N |
| Molecular Weight |
223.228 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OC)\C(=C/[N+](=O)[O-])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957303 |
