| SpectraBase Spectrum ID |
CSYzTLIOOy0 |
| Name |
Sebacic acid, 3-ethylphenyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-4-19-12-11-13-20(16-19)26-22(24)15-10-8-6-5-7-9-14-21(23)25-17-18(2)3/h11-13,16,18H,4-10,14-15,17H2,1-3H3 |
| InChIKey |
IVPHLBSYSHRPMN-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84575 |
