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(3ASR,7ARS)-7A-BENZOYL-6-METHYL-3A-NITRO-3-PHENYL-3A,4,7,7A-TETRAHYDRO-1,2-BENZISOXAZOLE
SpectraBase Compound ID Fy85v9JigTy
InChI InChI=1S/C21H18N2O4/c1-15-12-13-20(23(25)26)18(16-8-4-2-5-9-16)22-27-21(20,14-15)19(24)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3/t20-,21-/m1/s1
InChIKey AGNRPSYSAFNUNH-NHCUHLMSSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D85f8auDLYi
Name (3ASR,7ARS)-7A-BENZOYL-6-METHYL-3A-NITRO-3-PHENYL-3A,4,7,7A-TETRAHYDRO-1,2-BENZISOXAZOLE
CAS Registry Number 124287-02-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c1-15-12-13-20(23(25)26)18(16-8-4-2-5-9-16)22-27-21(20,14-15)19(24)17-10-6-3-7-11-17/h2-12H,13-14H2,1H3/t20-,21-/m1/s1
InChIKey AGNRPSYSAFNUNH-NHCUHLMSSA-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 362.385 g/mol
Solvent CDCl3
Source File Reference UWED9959