| SpectraBase Spectrum ID |
5Ju4yJyTmou |
| Name |
Propanedioic acid, (bromomethyl)methyl-, bis(phenylmethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.046672088 u |
| Formula |
C19H19BrO4 |
| InChI |
InChI=1S/C19H19BrO4/c1-19(14-20,17(21)23-12-15-8-4-2-5-9-15)18(22)24-13-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3 |
| InChIKey |
FBTHWZXWIXLWBG-UHFFFAOYSA-N |
| Molecular Weight |
391.261 g/mol |
| SMILES |
C(C(OCC=1C=CC=CC1)=O)(C(OCC=1C=CC=CC1)=O)(CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979069 |
