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3-ACETAMIDO-4-NITRO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 2yICodSzfRq
InChI InChI=1S/C8H8N2O5S/c1-4(11)9-6-5(10(13)14)3-16-7(6)8(12)15-2/h3H,1-2H3,(H,9,11)
InChIKey MOABQEABDWBTFK-UHFFFAOYSA-N
Mol Weight 244.22 g/mol
Molecular Formula C8H8N2O5S
Exact Mass 244.015393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dz8iy8XnPOy
Name 3-ACETAMIDO-4-NITRO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1978)
CAS Registry Number 80615-53-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O5S
InChI InChI=1S/C8H8N2O5S/c1-4(11)9-6-5(10(13)14)3-16-7(6)8(12)15-2/h3H,1-2H3,(H,9,11)
InChIKey MOABQEABDWBTFK-UHFFFAOYSA-N
Molecular Weight 244.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-270
Synonyms 2-THIOPHENECARBOXYLIC ACID, 3-ACETAMIDO-4-NITRO-, METHYL ESTER