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(1S,2R)-2-phenylspiro[cyclopropane-1,3'-indolin]-2'-one
SpectraBase Compound ID 3VaDAmGQJbm
InChI InChI=1S/C16H13NO/c18-15-16(12-8-4-5-9-14(12)17-15)10-13(16)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18)/t13-,16-/m1/s1
InChIKey SWFUXSSFYLMOBW-CZUORRHYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7fyBdFNNLH5
Name (1S,2R)-2-Phenylspiro[cyclopropane-1,3'-indolin]-2'-one
Comments Computed using HOSE algorithm
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Exact Mass 235.099714042 u
Formula C16H13NO
InChI InChI=1S/C16H13NO/c18-15-16(12-8-4-5-9-14(12)17-15)10-13(16)11-6-2-1-3-7-11/h1-9,13H,10H2,(H,17,18)/t13-,16-/m1/s1
InChIKey SWFUXSSFYLMOBW-CZUORRHYSA-N
Molecular Weight 235.286 g/mol
SMILES C1[C@]2(C(NC3=CC=CC=C23)=O)[C@]1(C1=CC=CC=C1)[H]