| SpectraBase Compound ID | 6XeMs4cNLEu |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-17(2)9-7-15-23-19(21)13-6-14-20(22)24-16-8-12-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-16H2,1-2H3 |
| InChIKey | YSUIALCFFBVVBX-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tqsUrCczZU |
|---|---|
| Name | Glutaric acid, isohexyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-17(2)9-7-15-23-19(21)13-6-14-20(22)24-16-8-12-18-10-4-3-5-11-18/h3-5,10-11,17H,6-9,12-16H2,1-2H3 |
| InChIKey | YSUIALCFFBVVBX-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OCCCC1=CC=CC=C1)=O)=O |