| SpectraBase Compound ID | H9TFB5QyXxo |
|---|---|
| InChI | InChI=1S/C17H20O3/c18-14-2-1-3-15(7-14)20-16(19)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,18H,4-6,8-10H2/t11-,12+,13-,17- |
| InChIKey | VWUYJABONUTFSX-FBBPANFNSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLEh3ie7HlO |
|---|---|
| Name | 1,3-Benzenediol, o-(1-adamantanecarbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c18-14-2-1-3-15(7-14)20-16(19)17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13,18H,4-6,8-10H2/t11-,12+,13-,17- |
| InChIKey | VWUYJABONUTFSX-FBBPANFNSA-N |
| SMILES | C1(=CC(=CC=C1)OC(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)O |