| SpectraBase Compound ID | J0478B6I5p0 |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-12-17-24-20(22)15-16-21(23)25-18(2)19-13-10-11-14-19/h18-19H,3-17H2,1-2H3 |
| InChIKey | YUPGUVKSUVIXRV-UHFFFAOYSA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RAuGzz6B53 |
|---|---|
| Name | Succinic acid, 1-cyclopentylethyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-12-17-24-20(22)15-16-21(23)25-18(2)19-13-10-11-14-19/h18-19H,3-17H2,1-2H3 |
| InChIKey | YUPGUVKSUVIXRV-UHFFFAOYSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CC(OC(C)C1CCCC1)=O)C(OCCCCCCCCCC)=O |