| SpectraBase Spectrum ID |
BU3X2724nNf |
| Name |
(E) 2- (4-Methoxyphenyl)-1-nitropent-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-3-4-11(9-13(14)15)10-5-7-12(16-2)8-6-10/h3-8,11H,9H2,1-2H3/b4-3+ |
| InChIKey |
FWZIPIIZTSAJIF-ONEGZZNKSA-N |
| Molecular Weight |
221.256 g/mol |
| SMILES |
C\C=C\C(C[N+](=O)[O-])C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855916 |
