| SpectraBase Compound ID | GFI0nQA60zZ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-5-6-10-16-23-19(21)14-11-15-20(22)24-18(4-2)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3 |
| InChIKey | ODEZBRVNBDTQHQ-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 | 1BHDqzQZXdu |
|---|---|
| Name | Glutaric acid, hexyl 1-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/c1-3-5-6-10-16-23-19(21)14-11-15-20(22)24-18(4-2)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3 |
| InChIKey | ODEZBRVNBDTQHQ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(C(OC(=O)CCCC(OCCCCCC)=O)C1=CC=CC=C1)C |