| SpectraBase Compound ID | L7cj77nVlvn |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-4-6-7-12-15-19(3)25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-5-2/h12,15,19H,4-11,13-14,16-18H2,1-3H3/b15-12+ |
| InChIKey | YRPOBCVGHAEKRL-NTCAYCPXSA-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 | K6LhWOF2GpR |
|---|---|
| Name | Sebacic acid, oct-3-en-2-yl propyl 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/c1-4-6-7-12-15-19(3)25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-5-2/h12,15,19H,4-11,13-14,16-18H2,1-3H3/b15-12+ |
| InChIKey | YRPOBCVGHAEKRL-NTCAYCPXSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCCCC(OC(C)\C=C\CCCC)=O)CCCC(OCCC)=O |