| SpectraBase Spectrum ID |
6XuJ4l6R350 |
| Name |
Succinic acid, nonyl 2-propylpentyl 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/c1-4-7-8-9-10-11-12-17-24-20(22)15-16-21(23)25-18-19(13-5-2)14-6-3/h19H,4-18H2,1-3H3 |
| InChIKey |
VCYYMRNGJXGHGX-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCC(OCC(CCC)CCC)=O)(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877434 |
