| SpectraBase Spectrum ID |
AY6jtYAobDt |
| Name |
Sebacic acid, 2-(4-bromophenoxy)ethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.119837029 u |
| Formula |
C20H29BrO5 |
| InChI |
InChI=1S/C20H29BrO5/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)26-16-15-25-18-13-11-17(21)12-14-18/h11-14H,2-10,15-16H2,1H3 |
| InChIKey |
STOVXNLCODTLNQ-UHFFFAOYSA-N |
| Molecular Weight |
429.351 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCCOC1=CC=C(C=C1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965309 |
