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

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

(1R,2S)-(+-)-methyl 2-(2-benzoyl-3-phenylcyclopropyl)acetate
SpectraBase Compound ID CLUfDWpedFa
InChI InChI=1S/C19H18O3/c1-22-16(20)12-15-17(13-8-4-2-5-9-13)18(15)19(21)14-10-6-3-7-11-14/h2-11,15,17-18H,12H2,1H3/t15-,17?,18+/m1/s1
InChIKey CZFTVCAAYRMBIS-IKJNGHJTSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SuAS2FkyFh
Name (1R,2S)-(+-)-methyl 2-(2-benzoyl-3-phenylcyclopropyl)acetate
Comments Computed using HOSE algorithm
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Exact Mass 294.125594437 u
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-22-16(20)12-15-17(13-8-4-2-5-9-13)18(15)19(21)14-10-6-3-7-11-14/h2-11,15,17-18H,12H2,1H3/t15-,17?,18+/m1/s1
InChIKey CZFTVCAAYRMBIS-IKJNGHJTSA-N
SMILES [C@]1([C@](CC(=O)OC)(C1C1=CC=CC=C1)[H])(C(=O)C=1C=CC=CC1)[H]