| SpectraBase Spectrum ID |
CzqmpW4nrkR |
| Name |
Sebacic acid, 2-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/c1-4-19-13-11-12-14-20(19)26-22(24)16-10-8-6-5-7-9-15-21(23)25-17-18(2)3/h11-14,18H,4-10,15-17H2,1-3H3 |
| InChIKey |
CEUYNIWNKCECPB-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(C(OC=1C(CC)=CC=CC1)=O)CCCCCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820037 |
