| SpectraBase Compound ID | CIUVkSMu1sA |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-4-2/h4,19-20H,2-3,5-18H2,1H3 |
| InChIKey | VNCZFWBAAZCFMH-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pMPG9HryVq |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, allyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-4-2/h4,19-20H,2-3,5-18H2,1H3 |
| InChIKey | VNCZFWBAAZCFMH-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C1(CCCCC1C(OCCCCCCCCCCC)=O)C(=O)OCC=C |