| SpectraBase Compound ID | 2VgOE7cM3F6 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-8-15-22-18(20)13-9-14-19(21)23-17-12-7-6-11-16(17)10-4-2/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3 |
| InChIKey | PSQTUEIKGNXGKO-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 | Dj1qDc1mgUw |
|---|---|
| Name | Glutaric acid, pentyl 2-propylphenyl 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/c1-3-5-8-15-22-18(20)13-9-14-19(21)23-17-12-7-6-11-16(17)10-4-2/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3 |
| InChIKey | PSQTUEIKGNXGKO-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCOC(CCCC(OC1=CC=CC=C1CCC)=O)=O |