| SpectraBase Spectrum ID |
8AOEl6J6P5X |
| Name |
Benzene, (1-bromo-2-methyl-2-nitropropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.005141628 u |
| Formula |
C10H12BrNO2 |
| InChI |
InChI=1S/C10H12BrNO2/c1-10(2,12(13)14)9(11)8-6-4-3-5-7-8/h3-7,9H,1-2H3 |
| InChIKey |
QTVGKNDYMGUJJW-UHFFFAOYSA-N |
| Molecular Weight |
258.115 g/mol |
| SMILES |
C(N(=O)=O)(C(C=1C=CC=CC1)Br)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936542 |
