| SpectraBase Spectrum ID |
CbbRsPl3xkJ |
| Name |
Glutaric acid, dec-2-yl neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-6-7-8-9-10-11-13-17(2)24-19(22)15-12-14-18(21)23-16-20(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey |
HXQZGPBTQYXSKY-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(OC(CCCCCCCC)C)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817598 |
