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(1R)-2-(2'-Acetoxyphenyl)-1-(4''-chlorophenyl)ethyl acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1R)-2-(2'-Acetoxyphenyl)-1-(4''-chlorophenyl)ethyl acetate
SpectraBase Compound ID 3HcEcqJmZ7W
InChI InChI=1S/C18H17ClO4/c1-12(20)22-17-6-4-3-5-15(17)11-18(23-13(2)21)14-7-9-16(19)10-8-14/h3-10,18H,11H2,1-2H3/t18-/m1/s1
InChIKey ZJTYYLTZKHKVFP-GOSISDBHSA-N
Mol Weight 332.78 g/mol
Molecular Formula C18H17ClO4
Exact Mass 332.081537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2VsUMRvfG6
Name (1R)-2-(2'-Acetoxyphenyl)-1-(4''-chlorophenyl)ethyl acetate
Comments Computed using HOSE algorithm
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Exact Mass 332.081536723 u
Formula C18H17ClO4
InChI InChI=1S/C18H17ClO4/c1-12(20)22-17-6-4-3-5-15(17)11-18(23-13(2)21)14-7-9-16(19)10-8-14/h3-10,18H,11H2,1-2H3/t18-/m1/s1
InChIKey ZJTYYLTZKHKVFP-GOSISDBHSA-N
Molecular Weight 332.783 g/mol
SMILES [C@@](CC=1C(OC(=O)C)=CC=CC1)(OC(=O)C)(C1=CC=C(C=C1)Cl)[H]