| SpectraBase Spectrum ID |
A95KCSYYKFE |
| Name |
Diglycolic acid, isobutyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.162373868 u |
| Formula |
C17H24O5 |
| InChI |
InChI=1S/C17H24O5/c1-14(2)11-22-17(19)13-20-12-16(18)21-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3 |
| InChIKey |
OAZLVVHNOHXPBE-UHFFFAOYSA-N |
| SMILES |
C(COCC(=O)OCC(C)C)(=O)OCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93231 |
