| SpectraBase Compound ID | 6kKZwlQtH7M |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-6-8-9-10-11-12-14-18-24-20(22)16-17-21(23)25-19(3)15-13-7-5-2/h10-11,19H,4-9,12-18H2,1-3H3/b11-10+ |
| InChIKey | XSVGMXNESRERPA-ZHACJKMWSA-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 | AVBKLMDqelO |
|---|---|
| Name | Succinic acid, hept-2-yl dec-4-en-1-yl 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/c1-4-6-8-9-10-11-12-14-18-24-20(22)16-17-21(23)25-19(3)15-13-7-5-2/h10-11,19H,4-9,12-18H2,1-3H3/b11-10+ |
| InChIKey | XSVGMXNESRERPA-ZHACJKMWSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCCC\C=C\CCCCC)=O |