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3-(4-METHYLPHENYL)-3A,4,11,11A-TETRAHYDROISOXAZOLO[5,4-C]-1,6-BENZODIOXOCINE
SpectraBase Compound ID 29hOA7JD3VF
InChI InChI=1S/C18H17NO3/c1-12-6-8-13(9-7-12)18-14-10-20-15-4-2-3-5-16(15)21-11-17(14)22-19-18/h2-9,14,17H,10-11H2,1H3/t14-,17+/m1/s1
InChIKey CCQPGJRAXNEULT-PBHICJAKSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUFquW0DzoI
Name 3-(4-METHYLPHENYL)-3A,4,11,11A-TETRAHYDROISOXAZOLO[5,4-C]-1,6-BENZODIOXOCINE
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Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-12-6-8-13(9-7-12)18-14-10-20-15-4-2-3-5-16(15)21-11-17(14)22-19-18/h2-9,14,17H,10-11H2,1H3/t14-,17+/m1/s1
InChIKey CCQPGJRAXNEULT-PBHICJAKSA-N
Instrument Name Tesla BS487
Literature Reference L.FISERA, L.JAROSKOVA, W.SCHROTH, M.GABLER, P.ORAVEC (1988)Coll.Czech.Chem.Comm.: v.53, N5, 1060-1067.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo