| SpectraBase Spectrum ID |
92hl2KCEpTf |
| Name |
Benzoic acid, 4-bromo-2-nitro-3-(phenylmethoxy)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.989885485 u |
| Formula |
C15H12BrNO5 |
| InChI |
InChI=1S/C15H12BrNO5/c1-21-15(18)11-7-8-12(16)14(13(11)17(19)20)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3 |
| InChIKey |
STHUUOOTDGISFY-UHFFFAOYSA-N |
| Molecular Weight |
366.167 g/mol |
| SMILES |
C=1(N(=O)=O)C(C(=O)OC)=CC=C(C1OCC1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812717 |
