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[(o-nitrobenzyl)thio]acetic acid

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[(o-nitrobenzyl)thio]acetic acid
SpectraBase Compound ID 4x6psPqpjub
InChI InChI=1S/C9H9NO4S/c11-9(12)6-15-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey DUZOLSSGVIWWSU-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C9H9NO4S
Exact Mass 227.025229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7hhpKciXnM
Name [(o-NITROBENZYL)THIO]ACETIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO4S
InChI InChI=1S/C9H9NO4S/c11-9(12)6-15-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey DUZOLSSGVIWWSU-UHFFFAOYSA-N
Molecular Weight 227.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETIC ACID, //O-NITROBENZYL/THIO/-,