| SpectraBase Compound ID | 7uxCukLBKDh |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-15(17-9-3-4-10-17)25-21(23)19-13-7-8-14-20(19)22(24)26-16(2)18-11-5-6-12-18/h7-8,13-18H,3-6,9-12H2,1-2H3 |
| InChIKey | AWYUGUYPPOGPAH-UHFFFAOYSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsnmHX8W2qt |
|---|---|
| Name | Phthalic acid, di(1-cyclopentylethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-15(17-9-3-4-10-17)25-21(23)19-13-7-8-14-20(19)22(24)26-16(2)18-11-5-6-12-18/h7-8,13-18H,3-6,9-12H2,1-2H3 |
| InChIKey | AWYUGUYPPOGPAH-UHFFFAOYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C(OC(C1CCCC1)C)(=O)C1=CC=CC=C1C(OC(C1CCCC1)C)=O |