| SpectraBase Spectrum ID |
5OZwfqBc6sw |
| Name |
Diglycolic acid, pentyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.178023932 u |
| Formula |
C18H26O5 |
| InChI |
InChI=1S/C18H26O5/c1-2-3-7-12-22-17(19)14-21-15-18(20)23-13-8-11-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3 |
| InChIKey |
FRZBDHRIYPBUPL-UHFFFAOYSA-N |
| Molecular Weight |
322.401 g/mol |
| SMILES |
C(COCC(=O)OCCCCC)(=O)OCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933169 |
