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(-)-myrtenol, chlorodifluoroacetate
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rbimIdVCmb
Name (-)-myrtenol, chlorodifluoroacetate
Comments Computed using HOSE algorithm
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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