| SpectraBase Spectrum ID |
IjdmTv0r7IB |
| Name |
Terephthalic acid, 4-bromophenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.015371959 u |
| Formula |
C17H15BrO4 |
| InChI |
InChI=1S/C17H15BrO4/c1-2-11-21-16(19)12-3-5-13(6-4-12)17(20)22-15-9-7-14(18)8-10-15/h3-10H,2,11H2,1H3 |
| InChIKey |
DXWGDXVHPZUSAG-UHFFFAOYSA-N |
| Molecular Weight |
363.207 g/mol |
| SMILES |
C(C1=CC=C(C=C1)C(OCCC)=O)(OC1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869065 |
