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(1S*,2R*,3S*)-2-Phenyl-3-propylcyclopropyl phenyl ketone
SpectraBase Compound ID 1IEhlZSuMtq
InChI InChI=1S/C19H20O/c1-2-9-16-17(14-10-5-3-6-11-14)18(16)19(20)15-12-7-4-8-13-15/h3-8,10-13,16-18H,2,9H2,1H3/t16-,17+,18-/m0/s1
InChIKey SIJVOAKSCNKROG-KSZLIROESA-N
Mol Weight 264.37 g/mol
Molecular Formula C19H20O
Exact Mass 264.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8whsYlG4AP6
Name (1S*,2R*,3S*)-2-Phenyl-3-propylcyclopropyl phenyl ketone
Comments Computed using HOSE algorithm
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Exact Mass 264.151415263 u
Formula C19H20O
InChI InChI=1S/C19H20O/c1-2-9-16-17(14-10-5-3-6-11-14)18(16)19(20)15-12-7-4-8-13-15/h3-8,10-13,16-18H,2,9H2,1H3/t16-,17+,18-/m0/s1
InChIKey SIJVOAKSCNKROG-KSZLIROESA-N
Molecular Weight 264.368 g/mol
SMILES [C@@]1([C@](C=2C=CC=CC2)([C@@]1(CCC)[H])[H])(C(=O)C1=CC=CC=C1)[H]