| SpectraBase Spectrum ID |
6FT4BQ74TyN |
| Name |
Sebacic acid, 2,5-dimethylphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-4-23-19(21)11-9-7-5-6-8-10-12-20(22)24-18-15-16(2)13-14-17(18)3/h13-15H,4-12H2,1-3H3 |
| InChIKey |
PBGSMRVFSDOHPH-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(CCCCC(OC=1C(C)=CC=C(C)C1)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954686 |
