| SpectraBase Spectrum ID |
LgdOnFX3gIg |
| Name |
Glutaric acid, 2-decyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.339609957 u |
| Formula |
C24H46O4 |
| InChI |
InChI=1S/C24H46O4/c1-4-6-8-10-12-14-16-21-27-23(25)19-17-20-24(26)28-22(3)18-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3 |
| InChIKey |
XHVFIULWKPKWJT-UHFFFAOYSA-N |
| Molecular Weight |
398.628 g/mol |
| SMILES |
CC(OC(CCCC(OCCCCCCCCC)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912965 |
