| SpectraBase Spectrum ID |
9rtnJc414dY |
| Name |
Isophthalic acid, di(4-bromophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.910234862 u |
| Formula |
C20H12Br2O4 |
| InChI |
InChI=1S/C20H12Br2O4/c21-15-4-8-17(9-5-15)25-19(23)13-2-1-3-14(12-13)20(24)26-18-10-6-16(22)7-11-18/h1-12H |
| InChIKey |
YRQSTOFVOFEZDH-UHFFFAOYSA-N |
| Molecular Weight |
476.120 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C=1C=C(C(OC2=CC=C(C=C2)Br)=O)C=CC1)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826273 |
