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thiocyanic acid, 4-acetamido-3-nitrophenyl ester

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thiocyanic acid, 4-acetamido-3-nitrophenyl ester
SpectraBase Compound ID AVCK88zFlV0
InChI InChI=1S/C9H7N3O3S/c1-6(13)11-8-3-2-7(16-5-10)4-9(8)12(14)15/h2-4H,1H3,(H,11,13)
InChIKey RLPLNYIDEVVEBK-UHFFFAOYSA-N
Mol Weight 237.23 g/mol
Molecular Formula C9H7N3O3S
Exact Mass 237.020812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PyAr1rjtt2
Name THIOCYANIC ACID, 4-ACETAMIDO-3-NITROPHENYL ESTER
Source of Sample A. M. Chippendale ICI Organic Division, Manchester (1980)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O3S
InChI InChI=1S/C9H7N3O3S/c1-6(13)11-8-3-2-7(16-5-10)4-9(8)12(14)15/h2-4H,1H3,(H,11,13)
InChIKey RLPLNYIDEVVEBK-UHFFFAOYSA-N
Molecular Weight 237.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WH-90
Synonyms THIOCYANIC ACID, 4-ACETAMIDO-3- NITROPHENYL ESTER