| SpectraBase Spectrum ID |
1uAWqUgE6Xv |
| Name |
Glutaric acid, 3-methylbut-2-yl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.198759378 u |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-15(2)16(3)23-19(21)13-7-12-18(20)22-14-8-11-17-9-5-4-6-10-17/h4-6,9-10,15-16H,7-8,11-14H2,1-3H3 |
| InChIKey |
TZQJVFSJPXVQFH-UHFFFAOYSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
C(CCC(OC(C(C)C)C)=O)C(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861157 |
