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5-(benzylthio)-4-nitro-thiophene-2-carboxylic acid methyl ester

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5-(benzylthio)-4-nitro-thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID Iq5HW5YIevs
InChI InChI=1S/C13H11NO4S2/c1-18-12(15)11-7-10(14(16)17)13(20-11)19-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey XKGKBPKJDGDDQA-UHFFFAOYSA-N
Mol Weight 309.35 g/mol
Molecular Formula C13H11NO4S2
Exact Mass 309.01295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTStxbiRYeK
Name 5-(benzylthio)-4-nitro-thiophene-2-carboxylic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO4S2
InChI InChI=1S/C13H11NO4S2/c1-18-12(15)11-7-10(14(16)17)13(20-11)19-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey XKGKBPKJDGDDQA-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 309.355 g/mol
Source File Reference MHKO13327