| SpectraBase Spectrum ID |
GF7Rl2NI4yn |
| Name |
5-Benzyloxy-4-bromo-2-nitroaniline, N-methyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.010955284 u |
| Formula |
C14H13BrN2O3 |
| InChI |
InChI=1S/C14H13BrN2O3/c1-16-12-8-14(11(15)7-13(12)17(18)19)20-9-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3 |
| InChIKey |
WQSZIOSISUXJOY-UHFFFAOYSA-N |
| Molecular Weight |
337.173 g/mol |
| SMILES |
C1(OCC2=CC=CC=C2)=CC(NC)=C(N(=O)=O)C=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807404 |
