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2-BETA,3-BETA,4-ALPHA-TRIMETHOXYCYCLOHEX-1-ALPHA-YL-3',5'-DINITROBENZOATE
SpectraBase Compound ID 5UyRpRXeyuq
InChI InChI=1S/C16H20N2O9/c1-24-12-4-5-13(15(26-3)14(12)25-2)27-16(19)9-6-10(17(20)21)8-11(7-9)18(22)23/h6-8,12-15H,4-5H2,1-3H3/t12-,13+,14+,15-/m0/s1
InChIKey NWOYFWYPBIVIEU-YJNKXOJESA-N
Mol Weight 384.34 g/mol
Molecular Formula C16H20N2O9
Exact Mass 384.11688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XFw5SVi8Cc
Name 2-BETA,3-BETA,4-ALPHA-TRIMETHOXYCYCLOHEX-1-ALPHA-YL-3',5'-DINITROBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O9
InChI InChI=1S/C16H20N2O9/c1-24-12-4-5-13(15(26-3)14(12)25-2)27-16(19)9-6-10(17(20)21)8-11(7-9)18(22)23/h6-8,12-15H,4-5H2,1-3H3/t12-,13+,14+,15-/m0/s1
InChIKey NWOYFWYPBIVIEU-YJNKXOJESA-N
Literature Reference Author R.C.CAMBIE,N.D.RENNER,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation AUSTR.J.CHEM.,43,1597(1990)
Literature Reference DOI 10.1071/ch9901597
Molecular Weight 384.343 g/mol
Solvent CDCl3
Source File Reference UWED13957