| SpectraBase Spectrum ID |
Fp05yyW0ND9 |
| Name |
Sebacic acid, 2-hexyl 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/c1-4-6-14-18-24-20(22)16-12-10-8-9-11-13-17-21(23)25-19(3)15-7-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
IVMRMUGIHIHKPV-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCCCCC(OCCCCC)=O)(OC(CCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963455 |
