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2-(4-NITROPHENYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLIC-ACID
SpectraBase Compound ID DBPn34P8c8Q
InChI InChI=1S/C14H9N3O8S/c18-14(19)11-5-10(16(22)23)6-12(17(24)25)13(11)26-7-8-1-3-9(4-2-8)15(20)21/h1-6H,7H2,(H,18,19)
InChIKey YIRHWLHDBKFRIQ-UHFFFAOYSA-N
Mol Weight 379.3 g/mol
Molecular Formula C14H9N3O8S
Exact Mass 379.011035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HChUvvlKxh
Name 2-(4-NITROPHENYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLIC-ACID
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9N3O8S
InChI InChI=1S/C14H9N3O8S/c18-14(19)11-5-10(16(22)23)6-12(17(24)25)13(11)26-7-8-1-3-9(4-2-8)15(20)21/h1-6H,7H2,(H,18,19)
InChIKey YIRHWLHDBKFRIQ-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 379.301 g/mol
Solvent DMSO-D6
Source File Reference UWLU7646