| SpectraBase Compound ID | CSnMou7qi92 |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-2-3-4-5-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-18-12-7-6-8-13-18/h9-10,14-15,18H,2-8,11-13,16-17H2,1H3 |
| InChIKey | XFWOWEPELLHFEP-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7IIrM5GCOZd |
|---|---|
| Name | Phthalic acid, cyclohexylmethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-2-3-4-5-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-18-12-7-6-8-13-18/h9-10,14-15,18H,2-8,11-13,16-17H2,1H3 |
| InChIKey | XFWOWEPELLHFEP-UHFFFAOYSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | CCCCCCCOC(C1=C(C(OCC2CCCCC2)=O)C=CC=C1)=O |