| SpectraBase Spectrum ID |
E8YtWm2LdgF |
| Name |
Isophthalic acid, 4-bromophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.999721895 u |
| Formula |
C16H13BrO4 |
| InChI |
InChI=1S/C16H13BrO4/c1-2-20-15(18)11-4-3-5-12(10-11)16(19)21-14-8-6-13(17)7-9-14/h3-10H,2H2,1H3 |
| InChIKey |
HNCYHYNDUHJADC-UHFFFAOYSA-N |
| Molecular Weight |
349.180 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C=1C=C(C(OCC)=O)C=CC1)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847888 |
