| SpectraBase Spectrum ID |
7FwEgOk5boe |
| Name |
Succinic acid, nonyl 2,4,4-trimethylpentyl 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/c1-6-7-8-9-10-11-12-15-24-19(22)13-14-20(23)25-17-18(2)16-21(3,4)5/h18H,6-17H2,1-5H3 |
| InChIKey |
ISQSGJSKBDENBD-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCC(OCC(CC(C)(C)C)C)=O)(OCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908839 |
