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(4R*,4A-S*,8A-R*)-(+/-)-2-PHENYL-4-(4-NITROPHENYL)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-1,8-DIOXA-NAPHTHO-3-CARBONITRILE
SpectraBase Compound ID I7HgaaelaLq
InChI InChI=1S/C21H18N2O4/c22-13-18-19(14-8-10-16(11-9-14)23(24)25)17-7-4-12-26-21(17)27-20(18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12H2/t17-,19-,21+/m0/s1
InChIKey LITLDAZBFVNTJS-HFSMHLIXSA-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 42askS1jY7T
Name (4R*,4A-S*,8A-R*)-(+/-)-2-PHENYL-4-(4-NITROPHENYL)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-1,8-DIOXA-NAPHTHO-3-CARBONITRILE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c22-13-18-19(14-8-10-16(11-9-14)23(24)25)17-7-4-12-26-21(17)27-20(18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12H2/t17-,19-,21+/m0/s1
InChIKey LITLDAZBFVNTJS-HFSMHLIXSA-N
Literature Reference Author K.BOGDANOWICZ-SZWED,A.PALASZ
Literature Reference Citation MH.CHEM.,128,1157(1997)
Literature Reference DOI 10.1007/BF00807566
Molecular Weight 362.385 g/mol
Solvent CDCl3
Source File Reference UWRK2939