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(1R,2R)-(+-)-methyl 2-(2-benzoyl-3-methylcyclopropyl)acetate

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

(1R,2R)-(+-)-methyl 2-(2-benzoyl-3-methylcyclopropyl)acetate
SpectraBase Compound ID FxuDHqHUjhr
InChI InChI=1S/C14H16O3/c1-9-11(8-12(15)17-2)13(9)14(16)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t9?,11-,13-/m1/s1
InChIKey MRKLFYDBCJFCRA-HRBVQNPCSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqiNtqqw4b2
Name (1R,2R)-(+-)-methyl 2-(2-benzoyl-3-methylcyclopropyl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 232.109944372 u
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-9-11(8-12(15)17-2)13(9)14(16)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t9?,11-,13-/m1/s1
InChIKey MRKLFYDBCJFCRA-HRBVQNPCSA-N
Molecular Weight 232.279 g/mol
SMILES [C@]1([C@](CC(=O)OC)(C1C)[H])(C(=O)C=1C=CC=CC1)[H]