| SpectraBase Compound ID | CzplIVMlcNE |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | JQIUFPPAGDWAEH-UHFFFAOYSA-N |
| Mol Weight | 354.6 g/mol |
| Molecular Formula | C23H46O2 |
| Exact Mass | 354.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eAuMrVCaeA |
|---|---|
| Name | Heptadecanoic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.349780719 u |
| Formula | C23H46O2 |
| InChI | InChI=1S/C23H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | JQIUFPPAGDWAEH-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | C(CCC(OCCCCCC)=O)CCCCCCCCCCCCC |