| SpectraBase Compound ID | B0Nt0cObeaa |
|---|---|
| InChI | InChI=1S/C22H40O4/c1-4-5-6-7-8-9-13-18(2)25-21(23)16-12-17-22(24)26-19(3)20-14-10-11-15-20/h18-20H,4-17H2,1-3H3 |
| InChIKey | JLJSNSJHFUHRMS-UHFFFAOYSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C22H40O4 |
| Exact Mass | 368.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8S3LHeQoS4Y |
|---|---|
| Name | Glutaric acid, 1-cyclopentylethyl dec-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.292659764 u |
| Formula | C22H40O4 |
| InChI | InChI=1S/C22H40O4/c1-4-5-6-7-8-9-13-18(2)25-21(23)16-12-17-22(24)26-19(3)20-14-10-11-15-20/h18-20H,4-17H2,1-3H3 |
| InChIKey | JLJSNSJHFUHRMS-UHFFFAOYSA-N |
| Molecular Weight | 368.558 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OC(C)C1CCCC1)=O |