| SpectraBase Spectrum ID |
LWUXOYid7mX |
| Name |
Diglycolic acid, butyl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.178023932 u |
| Formula |
C14H26O5 |
| InChI |
InChI=1S/C14H26O5/c1-4-6-8-18-13(15)10-17-11-14(16)19-9-12(3)7-5-2/h12H,4-11H2,1-3H3 |
| InChIKey |
UIJVDRSMNONCDW-UHFFFAOYSA-N |
| Molecular Weight |
274.357 g/mol |
| SMILES |
C(COCC(=O)OCCCC)(=O)OCC(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941176 |
