| SpectraBase Spectrum ID |
HGz0CBebUFG |
| Name |
2-Bromobenzoic acid, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.135093172 u |
| Formula |
C19H29BrO2 |
| InChI |
InChI=1S/C19H29BrO2/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15H,2-10,13,16H2,1H3 |
| InChIKey |
JQJIQMCCMXOKRO-UHFFFAOYSA-N |
| Molecular Weight |
369.343 g/mol |
| SMILES |
C1=CC(C(OCCCCCCCCCCCC)=O)=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931555 |
