| SpectraBase Spectrum ID |
LEVxSX0YX3r |
| Name |
6-Bromohexanoic acid, 3-phenyl-2-propenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.056842850 u |
| Formula |
C15H19BrO2 |
| InChI |
InChI=1S/C15H19BrO2/c16-12-6-2-5-11-15(17)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10H,2,5-6,11-13H2/b10-7+ |
| InChIKey |
ACEXWBQFEVFDRB-JXMROGBWSA-N |
| Molecular Weight |
311.219 g/mol |
| SMILES |
C1(=CC=CC=C1)\C=C\COC(CCCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956115 |
