| SpectraBase Spectrum ID |
2OP05H23Nrj |
| Name |
6-Bromo-3-hydroxy-4'-methoxybiphenyl-2-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.015371959 u |
| Formula |
C16H15BrO4 |
| InChI |
InChI=1S/C16H15BrO4/c1-3-21-16(19)15-13(18)9-8-12(17)14(15)10-4-6-11(20-2)7-5-10/h4-9,18H,3H2,1-2H3 |
| InChIKey |
NGBNIIOOBVRBRI-UHFFFAOYSA-N |
| Molecular Weight |
351.196 g/mol |
| SMILES |
C=1(C(C=2C=CC(=CC2)OC)=C(Br)C=CC1O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866536 |
