| SpectraBase Spectrum ID |
GsXeV9GlEY1 |
| Name |
Propanedioic acid, (2-bromo-2-propenyl)(3-phenyl-2-propenyl)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.077972217 u |
| Formula |
C19H23BrO4 |
| InChI |
InChI=1S/C19H23BrO4/c1-4-23-17(21)19(14-15(3)20,18(22)24-5-2)13-9-12-16-10-7-6-8-11-16/h6-12H,3-5,13-14H2,1-2H3/b12-9- |
| InChIKey |
IGVQUGBHMQSKAB-XFXZXTDPSA-N |
| Molecular Weight |
395.293 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)C\C=C/C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931935 |
