| SpectraBase Spectrum ID |
5YDMwwSiHCd |
| Name |
(3-Bromophenyl)methyl 4-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.979320802 u |
| Formula |
C14H10BrNO4 |
| InChI |
InChI=1S/C14H10BrNO4/c15-12-3-1-2-10(8-12)9-20-14(17)11-4-6-13(7-5-11)16(18)19/h1-8H,9H2 |
| InChIKey |
UYRWIMBUJDXIRQ-UHFFFAOYSA-N |
| Molecular Weight |
336.141 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C(OCC=2C=C(Br)C=CC2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943821 |
