| SpectraBase Spectrum ID |
IrrgRQvVVO1 |
| Name |
Adipic acid, 2-decyl 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/c1-4-6-8-9-10-11-15-19(3)25-21(23)17-13-12-16-20(22)24-18-14-7-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
LOLQLSPRFUKIPG-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(C(OC(CCCCCCCC)C)=O)CCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897454 |
