| SpectraBase Compound ID | 4vPM7fyjVg9 |
|---|---|
| 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 |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmNcDAaUYu5 |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |