| SpectraBase Spectrum ID |
1B922dAKE0E |
| Name |
Sebacic acid, 4-bromophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.093622281 u |
| Formula |
C18H25BrO4 |
| InChI |
InChI=1S/C18H25BrO4/c1-2-22-17(20)9-7-5-3-4-6-8-10-18(21)23-16-13-11-15(19)12-14-16/h11-14H,2-10H2,1H3 |
| InChIKey |
OOMPMQHVZOPSCJ-UHFFFAOYSA-N |
| Molecular Weight |
385.298 g/mol |
| SMILES |
C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968186 |
