| SpectraBase Spectrum ID |
737vbc8omtA |
| Name |
Sebacic acid, isobutyl 2-methylbenzyl 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/c1-18(2)16-25-21(23)14-8-6-4-5-7-9-15-22(24)26-17-20-13-11-10-12-19(20)3/h10-13,18H,4-9,14-17H2,1-3H3 |
| InChIKey |
FMYVHSSQJDZBDH-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCC=1C(C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979965 |
