| SpectraBase Spectrum ID |
DpiKcvnJ2zX |
| Name |
Diglycolic acid, 4-methoxybenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.157288487 u |
| Formula |
C17H24O6 |
| InChI |
InChI=1S/C17H24O6/c1-3-4-5-10-22-16(18)12-21-13-17(19)23-11-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3 |
| InChIKey |
CEUBMSDIGXBWES-UHFFFAOYSA-N |
| Molecular Weight |
324.373 g/mol |
| SMILES |
C(COCC(=O)OCCCCC)(=O)OCC1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829231 |
