| SpectraBase Spectrum ID |
29hhSUEZKsN |
| Name |
Diglycolic acid, 2-methylpentyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.162373868 u |
| Formula |
C13H24O5 |
| InChI |
InChI=1S/C13H24O5/c1-4-6-11(3)8-18-13(15)10-16-9-12(14)17-7-5-2/h11H,4-10H2,1-3H3 |
| InChIKey |
CGNUYVGKXZTYKW-UHFFFAOYSA-N |
| Molecular Weight |
260.330 g/mol |
| SMILES |
C(COCC(=O)OCCC)(=O)OCC(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952426 |
