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3-[(2,4-Dinitrophenyl)-thio]-indol

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3-[(2,4-Dinitrophenyl)-thio]-indol
SpectraBase Compound ID 3algCPXVktl
InChI InChI=1S/C14H9N3O4S/c18-16(19)9-5-6-13(12(7-9)17(20)21)22-14-8-15-11-4-2-1-3-10(11)14/h1-8,15H
InChIKey YXQOPKSDGPZMQS-UHFFFAOYSA-N
Mol Weight 315.3 g/mol
Molecular Formula C14H9N3O4S
Exact Mass 315.031377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FT2xIa095tK
Name 3-[(2,4-DINITROPHENYL)-THIO]-INDOL
CAS Registry Number 72496-84-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9N3O4S
InChI InChI=1S/C14H9N3O4S/c18-16(19)9-5-6-13(12(7-9)17(20)21)22-14-8-15-11-4-2-1-3-10(11)14/h1-8,15H
InChIKey YXQOPKSDGPZMQS-UHFFFAOYSA-N
Literature Reference Author M.RABAN,L.J.CHERN
Literature Reference Citation J.ORG.CHEM.,45,1688(1980)
Literature Reference DOI 10.1021/jo01297a033
Molecular Weight 315.303 g/mol
Solvent ACETONE-D6
Source File Reference UNIW18503