| SpectraBase Compound ID | 1cwp9HpzH5E |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-3-4-5-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16(2)17-11-6-7-12-17/h8-9,13-14,16-17H,3-7,10-12,15H2,1-2H3 |
| InChIKey | FHMAKJFTLSESMW-UHFFFAOYSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtTsccm1ti8 |
|---|---|
| Name | Phthalic acid, 1-cyclopentylethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.214409442 u |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-3-4-5-10-15-24-20(22)18-13-8-9-14-19(18)21(23)25-16(2)17-11-6-7-12-17/h8-9,13-14,16-17H,3-7,10-12,15H2,1-2H3 |
| InChIKey | FHMAKJFTLSESMW-UHFFFAOYSA-N |
| Molecular Weight | 346.467 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCC)=O)C(OC(C)C1CCCC1)=O |