SpectraBase Spectrum ID |
GMIFvxZYLGm |
Name |
(R)-(1-Nitrobut-3-en-2-yl)benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
177.078978596 u |
Formula |
C10H11NO2 |
InChI |
InChI=1S/C10H11NO2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h2-7,9H,1,8H2/t9-/m0/s1 |
InChIKey |
SPTLWTYCKGCRFY-VIFPVBQESA-N |
Molecular Weight |
177.203 g/mol |
SMILES |
C1=CC=CC([C@@](C=C)(C[N+](=O)[O-])[H])=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953823 |