| SpectraBase Spectrum ID |
ELhvoEBuzUZ |
| Name |
Diglycolic acid, di(3-phenylpropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c23-21(26-15-7-13-19-9-3-1-4-10-19)17-25-18-22(24)27-16-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2 |
| InChIKey |
BUTPAHBPOBQWHZ-UHFFFAOYSA-N |
| Molecular Weight |
370.445 g/mol |
| SMILES |
C(COCC(=O)OCCCC1=CC=CC=C1)(=O)OCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965998 |
