| SpectraBase Spectrum ID |
7soGUrmt4dj |
| Name |
(R)-1-Bromo-2-(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 |
254.989491564 u |
| Formula |
C10H10BrNO2 |
| InChI |
InChI=1S/C10H10BrNO2/c1-2-8(7-12(13)14)9-5-3-4-6-10(9)11/h2-6,8H,1,7H2/t8-/m0/s1 |
| InChIKey |
BYYQTIALGGAWRH-QMMMGPOBSA-N |
| Molecular Weight |
256.099 g/mol |
| SMILES |
C1=C(C(=CC=C1)[C@](C[N+](=O)[O-])(C=C)[H])Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939553 |
