| SpectraBase Compound ID | 1NHiDLF4Adr |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m1/s1 |
| InChIKey | MYCFGFMJUUNKBN-IJLUTSLNSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oXMCbpXPoQ |
|---|---|
| Name | (1R,4R,5S)(Z)-Sabinene hydrate acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10-,11-,12-/m1/s1 |
| InChIKey | MYCFGFMJUUNKBN-IJLUTSLNSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | [C@@]1(OC(C)=O)([C@]2(C[C@@]2(C(C)C)CC1)[H])C |