| SpectraBase Spectrum ID |
1Ma4x46VYdV |
| Name |
Diglycolic acid, 3-phenylpropyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.146723803 u |
| Formula |
C16H22O5 |
| InChI |
InChI=1S/C16H22O5/c1-2-10-20-15(17)12-19-13-16(18)21-11-6-9-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-13H2,1H3 |
| InChIKey |
BTHGVXMPAVDFEP-UHFFFAOYSA-N |
| Molecular Weight |
294.347 g/mol |
| SMILES |
C(COCC(=O)OCCC)(=O)OCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871894 |
