| SpectraBase Spectrum ID |
9s4sWRxyeOT |
| Name |
Propanedioic acid, (2-bromo-2-propenyl)(2-methyl-2-propenyl)-, 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/c1-6-18-12(16)14(8-10(3)4,9-11(5)15)13(17)19-7-2/h3,5-9H2,1-2,4H3 |
| InChIKey |
ZTKCXAZHTIFQGG-UHFFFAOYSA-N |
| Molecular Weight |
333.222 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964724 |
