| SpectraBase Spectrum ID |
96yd9CcGknD |
| Name |
2-(2-Bromoallyl)-2-but-3-enyl-malonic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.062322152 u |
| Formula |
C14H21BrO4 |
| InChI |
InChI=1S/C14H21BrO4/c1-5-8-9-14(10-11(4)15,12(16)18-6-2)13(17)19-7-3/h5H,1,4,6-10H2,2-3H3 |
| InChIKey |
QIIOCYIIOPQABJ-UHFFFAOYSA-N |
| Molecular Weight |
333.222 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826755 |
