| SpectraBase Compound ID | 306FbChQkXn |
|---|---|
| InChI | InChI=1S/C21H36O4/c22-20(14-12-18-8-2-3-9-18)24-16-6-1-7-17-25-21(23)15-13-19-10-4-5-11-19/h18-19H,1-17H2 |
| InChIKey | CYADWHYLQLNPOM-UHFFFAOYSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DplRVpMnDR |
|---|---|
| Name | 1,5-Pentanediol, o,o'-di(3-cyclopentylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c22-20(14-12-18-8-2-3-9-18)24-16-6-1-7-17-25-21(23)15-13-19-10-4-5-11-19/h18-19H,1-17H2 |
| InChIKey | CYADWHYLQLNPOM-UHFFFAOYSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC1CCCC1)(OCCCCCOC(CCC1CCCC1)=O)=O |