| SpectraBase Compound ID | 2PaqbjZQfUc |
|---|---|
| InChI | InChI=1S/C12H17ClF2O2/c1-10(2)7-4-5-11(10,3)8(6-7)17-9(16)12(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+,11+/m1/s1 |
| InChIKey | YRLXVPVERQXEQY-FYBVGQRMSA-N |
| Mol Weight | 266.72 g/mol |
| Molecular Formula | C12H17ClF2O2 |
| Exact Mass | 266.088514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cpbx5x8BFYo |
|---|---|
| Name | Borneol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.088513811 u |
| Formula | C12H17ClF2O2 |
| InChI | InChI=1S/C12H17ClF2O2/c1-10(2)7-4-5-11(10,3)8(6-7)17-9(16)12(13,14)15/h7-8H,4-6H2,1-3H3/t7-,8+,11+/m1/s1 |
| InChIKey | YRLXVPVERQXEQY-FYBVGQRMSA-N |
| Molecular Weight | 266.716 g/mol |
| SMILES | [C@]1(OC(C(F)(F)Cl)=O)([C@]2(C([C@@](C1)(CC2)[H])(C)C)C)[H] |