| SpectraBase Spectrum ID |
6UYPZaSBKFx |
| Name |
Diglycolic acid, isobutyl 2-pentyl 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/c1-5-6-11(4)18-13(15)9-16-8-12(14)17-7-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey |
DTDIQGBHSLYSEM-UHFFFAOYSA-N |
| Molecular Weight |
260.330 g/mol |
| SMILES |
C(COCC(=O)OCC(C)C)(=O)OC(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891624 |
