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3-ACETAMIDO-5-NITRO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 7YDs0nQF2bQ
InChI InChI=1S/C8H8N2O5S/c1-4(11)9-5-3-6(10(13)14)16-7(5)8(12)15-2/h3H,1-2H3,(H,9,11)
InChIKey DJPJTIGJPWASOS-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 GFCCxsxx3Bg
Name 3-ACETAMIDO-5-NITRO-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1978)
CAS Registry Number 80615-54-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O5S
InChI InChI=1S/C8H8N2O5S/c1-4(11)9-5-3-6(10(13)14)16-7(5)8(12)15-2/h3H,1-2H3,(H,9,11)
InChIKey DJPJTIGJPWASOS-UHFFFAOYSA-N
Molecular Weight 244.23
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WP-80
Synonyms 2-THIOPHENECARBOXYLIC ACID, 3-ACETAMIDO-5-NITRO-, METHYL ESTER