| SpectraBase Spectrum ID |
EPkpAvY1YTn |
| Name |
2-(2-Bromethoxy)isophthalic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.994636514 u |
| Formula |
C12H13BrO5 |
| InChI |
InChI=1S/C12H13BrO5/c1-16-11(14)8-5-9(12(15)17-2)7-10(6-8)18-4-3-13/h5-7H,3-4H2,1-2H3 |
| InChIKey |
UKRYMUUJZQJTCC-UHFFFAOYSA-N |
| Molecular Weight |
317.135 g/mol |
| SMILES |
c1(cc(cc(c1)C(=O)OC)OCCBr)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961 |
