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

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

(1R,2S)-(+-)-benzyl 2-(2-benzoyl-3-phenylcyclopropyl)acetate
SpectraBase Compound ID 3BnguEaF9CH
InChI InChI=1S/C25H22O3/c26-22(28-17-18-10-4-1-5-11-18)16-21-23(19-12-6-2-7-13-19)24(21)25(27)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2/t21-,23?,24+/m1/s1
InChIKey COSNEYQMCMCSJN-NXIFTKICSA-N
Mol Weight 370.45 g/mol
Molecular Formula C25H22O3
Exact Mass 370.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEGe5yDQFa4
Name (1R,2S)-(+-)-benzyl 2-(2-benzoyl-3-phenylcyclopropyl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.156894565 u
Formula C25H22O3
InChI InChI=1S/C25H22O3/c26-22(28-17-18-10-4-1-5-11-18)16-21-23(19-12-6-2-7-13-19)24(21)25(27)20-14-8-3-9-15-20/h1-15,21,23-24H,16-17H2/t21-,23?,24+/m1/s1
InChIKey COSNEYQMCMCSJN-NXIFTKICSA-N
Molecular Weight 370.448 g/mol
SMILES [C@]1([C@](CC(=O)OCC2=CC=CC=C2)(C1C1=CC=CC=C1)[H])(C(=O)C=1C=CC=CC1)[H]