| SpectraBase Spectrum ID |
7FAviU5GMuj |
| Name |
Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.046672088 u |
| Formula |
C15H19BrO4 |
| InChI |
InChI=1S/C15H19BrO4/c1-4-19-14(17)12(13(16)15(18)20-5-2)11-8-6-10(3)7-9-11/h6-9,12-13H,4-5H2,1-3H3 |
| InChIKey |
MNVZOGWIMOUWDL-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(C(C(=O)OCC)Br)(C(=O)OCC)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916123 |
