| SpectraBase Compound ID | 3dtRTNVZT1H |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-2-3-4-5-9-17-24-20(22)15-10-16-21(23)25-18-11-14-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3 |
| InChIKey | SHBHETDERYRRRY-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DeuvSCY68b |
|---|---|
| Name | Glutaric acid, heptyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-2-3-4-5-9-17-24-20(22)15-10-16-21(23)25-18-11-14-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3 |
| InChIKey | SHBHETDERYRRRY-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | CCCCCCCOC(CCCC(OCCCC1=CC=CC=C1)=O)=O |