| SpectraBase Compound ID | KdzKwE3ci6v |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-15(13-20(2,3)4)11-19(21)22-14-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12,15H,11,13-14H2,1-4H3 |
| InChIKey | DBBYBEREQVMNDW-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEHpjlMtzh1 |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, naphth-2-ylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-15(13-20(2,3)4)11-19(21)22-14-16-9-10-17-7-5-6-8-18(17)12-16/h5-10,12,15H,11,13-14H2,1-4H3 |
| InChIKey | DBBYBEREQVMNDW-UHFFFAOYSA-N |
| SMILES | C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)(CC(C)(C)C)C |