| SpectraBase Spectrum ID |
GyFjv9IISFL |
| Name |
Sebacic acid, 4-methylpent-2-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-5-6-13-16-24-20(22)14-11-9-7-8-10-12-15-21(23)25-19(4)17-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey |
SUOHHTZYFBDXLT-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCC(OC(CC(C)C)C)=O)CCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919836 |
