| SpectraBase Spectrum ID |
GpisYNNibw2 |
| Name |
Diethyl 2-(3-bromo-1-phenylbut-3-en-1-yl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.062322152 u |
| Formula |
C17H21BrO4 |
| InChI |
InChI=1S/C17H21BrO4/c1-4-21-16(19)15(17(20)22-5-2)14(11-12(3)18)13-9-7-6-8-10-13/h6-10,14-15H,3-5,11H2,1-2H3 |
| InChIKey |
XXBVEKCCVPUJGT-UHFFFAOYSA-N |
| Molecular Weight |
369.255 g/mol |
| SMILES |
C(CC(C1=CC=CC=C1)C(C(OCC)=O)C(OCC)=O)(Br)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949144 |
