| SpectraBase Compound ID | snpNg5EpBP |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-3-5-7-9-10-11-15-19-25-21(23)17-13-12-16-20(22)24-18-14-8-6-4-2/h6,8H,3-5,7,9-19H2,1-2H3/b8-6+ |
| InChIKey | NZPDCUFAIVVMFQ-SOFGYWHQSA-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 | 6RBUoDVcTQZ |
|---|---|
| Name | Adipic acid, nonyl trans-hex-3-enyl 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/c1-3-5-7-9-10-11-15-19-25-21(23)17-13-12-16-20(22)24-18-14-8-6-4-2/h6,8H,3-5,7,9-19H2,1-2H3/b8-6+ |
| InChIKey | NZPDCUFAIVVMFQ-SOFGYWHQSA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCCC(OCC\C=C\CC)=O)C(OCCCCCCCCC)=O |