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2-(METHOXYCARBONYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLIC-ACID
SpectraBase Compound ID E3A1D5F5a86
InChI InChI=1S/C10H8N2O8S/c1-20-8(13)4-21-9-6(10(14)15)2-5(11(16)17)3-7(9)12(18)19/h2-3H,4H2,1H3,(H,14,15)
InChIKey YBTNNHYRVTXZIZ-UHFFFAOYSA-N
Mol Weight 316.24 g/mol
Molecular Formula C10H8N2O8S
Exact Mass 316.000136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lwdmHhR6bl
Name 2-(METHOXYCARBONYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8N2O8S
InChI InChI=1S/C10H8N2O8S/c1-20-8(13)4-21-9-6(10(14)15)2-5(11(16)17)3-7(9)12(18)19/h2-3H,4H2,1H3,(H,14,15)
InChIKey YBTNNHYRVTXZIZ-UHFFFAOYSA-N
Literature Reference Author K.DUDOVA,F.CASTEK,V.MACHACEK,P.SIMUNEK
Literature Reference Citation MOLECULES,7,7(2002)
Literature Reference DOI 10.3390/70100007
Molecular Weight 316.242 g/mol
Solvent DMSO-D6
Source File Reference UWLU7644