| SpectraBase Compound ID | 3PM2lkLegUO |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-14(2)8-6-13(17)16(4)11(14)5-9-15(3)12(16)7-10-18-15/h11-13,17H,5-10H2,1-4H3 |
| InChIKey | NPRGVFUUBISNNK-UHFFFAOYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tnJlT8JJu4 |
|---|---|
| Name | Ambrox-2.alpha.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-14(2)8-6-13(17)16(4)11(14)5-9-15(3)12(16)7-10-18-15/h11-13,17H,5-10H2,1-4H3 |
| InChIKey | NPRGVFUUBISNNK-UHFFFAOYSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C12(OCCC2C2(C(CC1)C(CCC2O)(C)C)C)C |