| SpectraBase Spectrum ID |
IKqcZ5RMj1b |
| Name |
Benzenemethanamine, 3-bromo-2-methyl-6-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.984740536 u |
| Formula |
C8H9BrN2O2 |
| InChI |
InChI=1S/C8H9BrN2O2/c1-5-6(4-10)8(11(12)13)3-2-7(5)9/h2-3H,4,10H2,1H3 |
| InChIKey |
BYAYFCLGMDORNB-UHFFFAOYSA-N |
| Molecular Weight |
245.076 g/mol |
| SMILES |
C1(N(=O)=O)=C(C(C)=C(C=C1)Br)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917333 |
