| SpectraBase Spectrum ID |
738HGrf688v |
| Name |
Glutaric acid, 2-ethylhexyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-3-5-11-19(4-2)18-26-22(24)16-9-15-21(23)25-17-10-14-20-12-7-6-8-13-20/h6-8,12-13,19H,3-5,9-11,14-18H2,1-2H3 |
| InChIKey |
SVBYHUSZHNULDV-UHFFFAOYSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840509 |
