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2-[2'-METHYL-1'-(1''-METHYL-ETHYL)-2'-NITRO-PROPYL]-4-NITROTHIOPHEN
SpectraBase Compound ID 46YGjhNcOL4
InChI InChI=1S/C11H16N2O4S/c1-7(2)10(11(3,4)13(16)17)9-5-8(6-18-9)12(14)15/h5-7,10H,1-4H3
InChIKey VJLAZKVDWQZJCO-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C11H16N2O4S
Exact Mass 272.083078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4m42Wmbgw0m
Name 2-[2'-METHYL-1'-(1''-METHYL-ETHYL)-2'-NITRO-PROPYL]-4-NITROTHIOPHEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16N2O4S
InChI InChI=1S/C11H16N2O4S/c1-7(2)10(11(3,4)13(16)17)9-5-8(6-18-9)12(14)15/h5-7,10H,1-4H3
InChIKey VJLAZKVDWQZJCO-UHFFFAOYSA-N
Literature Reference Author P.J.NEWCOMBE,R.K.NORRIS
Literature Reference Citation AUSTR.J.CHEM.,35,973(1982)
Literature Reference DOI 10.1071/ch9820973
Molecular Weight 272.319 g/mol
Solvent DMSO-D6
Source File Reference UWWR987