SpectraBase Spectrum ID |
HUptZPD5WPE |
Name |
(E)-(3-Methyl-1-nitrobut-1-en-2-yl)benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
191.094628661 u |
Formula |
C11H13NO2 |
InChI |
InChI=1S/C11H13NO2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+ |
InChIKey |
ZFTLCQWJPILEGC-DHZHZOJOSA-N |
Molecular Weight |
191.230 g/mol |
SMILES |
C=1(C=CC=CC1)\C(=C\[N+](=O)[O-])C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901336 |