| SpectraBase Spectrum ID |
CxHlRCZaWdI |
| Name |
Triethylene glycol, dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.141638422 u |
| Formula |
C20H22O6 |
| InChI |
InChI=1S/C20H22O6/c21-19(17-7-3-1-4-8-17)25-15-13-23-11-12-24-14-16-26-20(22)18-9-5-2-6-10-18/h1-10H,11-16H2 |
| InChIKey |
AHSGHEXYEABOKT-UHFFFAOYSA-N |
| Molecular Weight |
358.390 g/mol |
| SMILES |
C=1C(=CC=CC1)C(OCCOCCOCCOC(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.871009 |
