| SpectraBase Compound ID | LSFk3G1kx7U |
|---|---|
| InChI | InChI=1S/C12H15ClF2O2/c1-11(2)8-4-3-7(9(11)5-8)6-17-10(16)12(13,14)15/h3,8-9H,4-6H2,1-2H3 |
| InChIKey | YBHCDNFUIZPXTA-UHFFFAOYSA-N |
| Mol Weight | 264.7 g/mol |
| Molecular Formula | C12H15ClF2O2 |
| Exact Mass | 264.072864 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rbimIdVCmb |
|---|---|
| Name | (-)-myrtenol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.072863747 u |
| Formula | C12H15ClF2O2 |
| InChI | InChI=1S/C12H15ClF2O2/c1-11(2)8-4-3-7(9(11)5-8)6-17-10(16)12(13,14)15/h3,8-9H,4-6H2,1-2H3 |
| InChIKey | YBHCDNFUIZPXTA-UHFFFAOYSA-N |
| Molecular Weight | 264.700 g/mol |
| SMILES | C1(=CCC2C(C1C2)(C)C)COC(C(F)(F)Cl)=O |