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4-amino-2-mesyl-5-(4-nitrobenzoyl)thiophene-3-carbonitrile

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4-amino-2-mesyl-5-(4-nitrobenzoyl)thiophene-3-carbonitrile
SpectraBase Compound ID KU13uSzWZI0
InChI InChI=1S/C13H9N3O5S2/c1-23(20,21)13-9(6-14)10(15)12(22-13)11(17)7-2-4-8(5-3-7)16(18)19/h2-5H,15H2,1H3
InChIKey LPTHIFROWPQDFE-UHFFFAOYSA-N
Mol Weight 351.35 g/mol
Molecular Formula C13H9N3O5S2
Exact Mass 350.998363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk6yyl8cmQ2
Name 4-amino-2-mesyl-5-(4-nitrobenzoyl)thiophene-3-carbonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9N3O5S2
InChI InChI=1S/C13H9N3O5S2/c1-23(20,21)13-9(6-14)10(15)12(22-13)11(17)7-2-4-8(5-3-7)16(18)19/h2-5H,15H2,1H3
InChIKey LPTHIFROWPQDFE-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 351.352 g/mol
Source File Reference MHKO7151