| SpectraBase Spectrum ID |
DtAQeyEOjXP |
| Name |
Sebacic acid, 4-bromophenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.109272345 u |
| Formula |
C19H27BrO4 |
| InChI |
InChI=1S/C19H27BrO4/c1-2-15-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(20)12-14-17/h11-14H,2-10,15H2,1H3 |
| InChIKey |
PYIZYASZOZGAKK-UHFFFAOYSA-N |
| Molecular Weight |
399.325 g/mol |
| SMILES |
C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915181 |
