| SpectraBase Spectrum ID |
DC7YpfHkrd0 |
| Name |
Diglycolic acid, isobutyl 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/c1-4-5-6-7-17-12(14)9-16-10-13(15)18-8-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey |
LSVDSRUHUHBTIQ-UHFFFAOYSA-N |
| Molecular Weight |
260.330 g/mol |
| SMILES |
C(COCC(=O)OCCCCC)(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854006 |
