| SpectraBase Spectrum ID |
8lEHV5p9FuV |
| Name |
4-Bromobutanoic acid, undec-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.119443107 u |
| Formula |
C15H27BrO2 |
| InChI |
InChI=1S/C15H27BrO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h9-10H,2-8,11-14H2,1H3/b10-9+ |
| InChIKey |
QBCPDDNDBOJMNN-MDZDMXLPSA-N |
| Molecular Weight |
319.283 g/mol |
| SMILES |
C(CCC(=O)OC\C=C\CCCCCCCC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930164 |
