| SpectraBase Compound ID | GOUVZtNFot |
|---|---|
| InChI | InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14?,17+/m0/s1 |
| InChIKey | FLOISDYCXINJOB-BHVXPOTESA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C17H22O2 |
| Exact Mass | 258.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dee2kBwwflc |
|---|---|
| Name | (1,7,7-Trimethylnorbornan-2-yl) benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.161979946 u |
| Formula | C17H22O2 |
| InChI | InChI=1S/C17H22O2/c1-16(2)13-9-10-17(16,3)14(11-13)19-15(18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14?,17+/m0/s1 |
| InChIKey | FLOISDYCXINJOB-BHVXPOTESA-N |
| Molecular Weight | 258.361 g/mol |
| SMILES | [C@@]12(C([C@@](CC2)(CC1OC(=O)C=1C=CC=CC1)[H])(C)C)C |