| SpectraBase Spectrum ID |
90TnkTmL64 |
| Name |
(Z)-1-(4-iso-Propylphenyl)-2-nitrobut-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.125928789 u |
| Formula |
C13H17NO2 |
| InChI |
InChI=1S/C13H17NO2/c1-4-13(14(15)16)9-11-5-7-12(8-6-11)10(2)3/h5-10H,4H2,1-3H3/b13-9- |
| InChIKey |
MGDJODBXMTWKNC-LCYFTJDESA-N |
| Molecular Weight |
219.284 g/mol |
| SMILES |
C=1(C=CC(\C=C\([N+](=O)[O-])CC)=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803285 |
