| SpectraBase Compound ID | 8moFQAgggix |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-4-6-11-18(2)25-21(23)16-9-15-20(22)24-17-10-14-19-12-7-5-8-13-19/h5,7-8,12-13,18H,3-4,6,9-11,14-17H2,1-2H3 |
| InChIKey | GWSPBEVKJCMHDL-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 | JoaIsmjIjZj |
|---|---|
| Name | Glutaric acid, hept-2-yl 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/c1-3-4-6-11-18(2)25-21(23)16-9-15-20(22)24-17-10-14-19-12-7-5-8-13-19/h5,7-8,12-13,18H,3-4,6,9-11,14-17H2,1-2H3 |
| InChIKey | GWSPBEVKJCMHDL-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCCCC1=CC=CC=C1)=O |