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2-[(1S,2R,3R)-2-benzoyl-3-phenyl-cyclopropyl]acetonitrile

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2-[(1S,2R,3R)-2-benzoyl-3-phenyl-cyclopropyl]acetonitrile
SpectraBase Compound ID C6at502FyLv
InChI InChI=1S/C18H15NO/c19-12-11-15-16(13-7-3-1-4-8-13)17(15)18(20)14-9-5-2-6-10-14/h1-10,15-17H,11H2/t15-,16+,17+/m0/s1
InChIKey KERIYLSKXARTSA-GVDBMIGSSA-N
Mol Weight 261.32 g/mol
Molecular Formula C18H15NO
Exact Mass 261.115364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82lao78ybMt
Name 2-[(1S,2R,3R)-2-Benzoyl-3-phenyl-cyclopropyl]acetonitrile
Comments Computed using HOSE algorithm
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Exact Mass 261.115364106 u
Formula C18H15NO
InChI InChI=1S/C18H15NO/c19-12-11-15-16(13-7-3-1-4-8-13)17(15)18(20)14-9-5-2-6-10-14/h1-10,15-17H,11H2/t15-,16+,17+/m0/s1
InChIKey KERIYLSKXARTSA-GVDBMIGSSA-N
Molecular Weight 261.324 g/mol
SMILES [C@]1([C@](C2=CC=CC=C2)([C@@]1(CC#N)[H])[H])(C(=O)C=1C=CC=CC1)[H]