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(E)-1-(2,4-DINITROPHENYLTHIO)-2-METHYL-3-ACETOXYPROP-1-ENE
SpectraBase Compound ID Bl2ZPYNDAXJ
InChI InChI=1S/C12H12N2O6S/c1-8(6-20-9(2)15)7-21-12-4-3-10(13(16)17)5-11(12)14(18)19/h3-5,7H,6H2,1-2H3/b8-7+
InChIKey NTNZFIJRVXNYIA-BQYQJAHWSA-N
Mol Weight 312.3 g/mol
Molecular Formula C12H12N2O6S
Exact Mass 312.041607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4v0iz4LKRAB
Name (E)-1-(2,4-DINITROPHENYLTHIO)-2-METHYL-3-ACETOXYPROP-1-ENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12N2O6S
InChI InChI=1S/C12H12N2O6S/c1-8(6-20-9(2)15)7-21-12-4-3-10(13(16)17)5-11(12)14(18)19/h3-5,7H,6H2,1-2H3/b8-7+
InChIKey NTNZFIJRVXNYIA-BQYQJAHWSA-N
Instrument Name Jeol FX-100
Literature Reference V.R.KARTASHOV, E.V.SKOROBOGATOVA, P.S.AFANAS'EV, V.A.CHERTKOV, N.M.SERGEEV,A.N.CHERNV, N.S.ZEFIROV (1991) Zhurn.Org.Khim.(Russ. Lang.): v.27, N9, 1861-1872.
NMR Standard CDCL3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d