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THREO-1,4-DI-(N,N'-PARA-NITROPHENYL)-2,3-BUTANEDIOL
SpectraBase Compound ID 5bOfEXXQy3q
InChI InChI=1S/C18H18N4O6/c23-17(11-19-9-13-1-5-15(6-2-13)21(25)26)18(24)12-20-10-14-3-7-16(8-4-14)22(27)28/h1-10,17-18,23-24H,11-12H2/b19-9+,20-10+/t17-,18-/m0/s1
InChIKey VVRVUGQKSIQEEQ-KPNUJFPGSA-N
Mol Weight 386.36 g/mol
Molecular Formula C18H18N4O6
Exact Mass 386.122634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 129b5w7JtrX
Name THREO-1,4-DI-(N,N'-PARA-NITROPHENYL)-2,3-BUTANEDIOL
Compound Number 3T-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N4O6
InChI InChI=1S/C18H18N4O6/c23-17(11-19-9-13-1-5-15(6-2-13)21(25)26)18(24)12-20-10-14-3-7-16(8-4-14)22(27)28/h1-10,17-18,23-24H,11-12H2/b19-9+,20-10+/t17-,18-/m0/s1
InChIKey VVRVUGQKSIQEEQ-KPNUJFPGSA-N
Literature Reference Author A.STAR,B.FUCHS
Literature Reference Citation J.ORG.CHEM.,64,1166(1999)
Literature Reference DOI 10.1021/jo9815554
Molecular Weight 386.364 g/mol
Sample ID 39379
Solvent DMSO-D6