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(3ASR,7ARS)-7A-BENZOYL-5,6-DIMETHYL-3A-NITRO-3-PHENYL-3A,4,7,7A-TETRAHYDRO-1,2-BENZISOXAZOLE
SpectraBase Compound ID lbBVYsEMae
InChI InChI=1S/C22H20N2O4/c1-15-13-21(24(26)27)19(17-9-5-3-6-10-17)23-28-22(21,14-16(15)2)20(25)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/t21-,22-/m1/s1
InChIKey RCIHBEMRRTZAOD-FGZHOGPDSA-N
Mol Weight 376.41 g/mol
Molecular Formula C22H20N2O4
Exact Mass 376.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GW7yZ0RkC9Z
Name (3ASR,7ARS)-7A-BENZOYL-5,6-DIMETHYL-3A-NITRO-3-PHENYL-3A,4,7,7A-TETRAHYDRO-1,2-BENZISOXAZOLE
CAS Registry Number 124287-00-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N2O4
InChI InChI=1S/C22H20N2O4/c1-15-13-21(24(26)27)19(17-9-5-3-6-10-17)23-28-22(21,14-16(15)2)20(25)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3/t21-,22-/m1/s1
InChIKey RCIHBEMRRTZAOD-FGZHOGPDSA-N
Literature Reference Author R.NESI,D.GIOMI,S.PAPALEO,M.CORTI
Literature Reference Citation J.ORG.CHEM.,55,1227(1990)
Literature Reference DOI 10.1021/jo00291a023
Molecular Weight 376.412 g/mol
Solvent CDCl3
Source File Reference UWED9956