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METHYL-2-(4-NITROPHENYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLATE
SpectraBase Compound ID IADDYYW3FOt
InChI InChI=1S/C15H11N3O8S/c1-26-15(19)12-6-11(17(22)23)7-13(18(24)25)14(12)27-8-9-2-4-10(5-3-9)16(20)21/h2-7H,8H2,1H3
InChIKey GVDNNUBZLSLTGZ-UHFFFAOYSA-N
Mol Weight 393.33 g/mol
Molecular Formula C15H11N3O8S
Exact Mass 393.026685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEnfAGZw8Vo
Name METHYL-2-(4-NITROPHENYLMETHYLSULFANYL)-3,5-DINITROBENZENECARBOXYLATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11N3O8S
InChI InChI=1S/C15H11N3O8S/c1-26-15(19)12-6-11(17(22)23)7-13(18(24)25)14(12)27-8-9-2-4-10(5-3-9)16(20)21/h2-7H,8H2,1H3
InChIKey GVDNNUBZLSLTGZ-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 393.328 g/mol
Solvent CDCl3
Source File Reference UWLU7647