| SpectraBase Compound ID | 7C9bTB1fGvq |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-22(24)19-21(2)20-23(3,4)5/h21H,6-20H2,1-5H3 |
| InChIKey | KUGGOUVGKCLGGH-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 | 3esAHnwLS4V |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, tetradecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-22(24)19-21(2)20-23(3,4)5/h21H,6-20H2,1-5H3 |
| InChIKey | KUGGOUVGKCLGGH-UHFFFAOYSA-N |
| Molecular Weight | 354.619 g/mol |
| SMILES | C(CC(OCCCCCCCCCCCCCC)=O)(CC(C)(C)C)C |