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2-BETA,3-ALPHA,4-ALPHA,5-BETA-TETRAMETHOXYCYCLOHEX-1-ALPHA-YL-3',5'-DINITROBENZOATE
SpectraBase Compound ID CZNQn8RiF7U
InChI InChI=1S/C17H22N2O10/c1-25-12-8-13(15(27-3)16(28-4)14(12)26-2)29-17(20)9-5-10(18(21)22)7-11(6-9)19(23)24/h5-7,12-16H,8H2,1-4H3/t12-,13-,14+,15+,16+/m0/s1
InChIKey XABMQEJNGYOOIT-AALSBFMBSA-N
Mol Weight 414.37 g/mol
Molecular Formula C17H22N2O10
Exact Mass 414.127445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJ6WqEDsjQX
Name 2-BETA,3-ALPHA,4-ALPHA,5-BETA-TETRAMETHOXYCYCLOHEX-1-ALPHA-YL-3',5'-DINITROBENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O10
InChI InChI=1S/C17H22N2O10/c1-25-12-8-13(15(27-3)16(28-4)14(12)26-2)29-17(20)9-5-10(18(21)22)7-11(6-9)19(23)24/h5-7,12-16H,8H2,1-4H3/t12-,13-,14+,15+,16+/m0/s1
InChIKey XABMQEJNGYOOIT-AALSBFMBSA-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 414.369 g/mol
Solvent CDCl3
Source File Reference UWED13958