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2,4-Diamino-6-methylthio-5-nitro-1,3-benzenedinitrile
SpectraBase Compound ID Fp0veILSSLK
InChI InChI=1S/C9H7N5O2S/c1-17-9-5(3-11)6(12)4(2-10)7(13)8(9)14(15)16/h12-13H2,1H3
InChIKey ZWUXJVWHIRLXRX-UHFFFAOYSA-N
Mol Weight 249.25 g/mol
Molecular Formula C9H7N5O2S
Exact Mass 249.032046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECcZUjSllzk
Name 2,4-Diamino-6-methylthio-5-nitro-1,3-benzenedinitrile
CAS Registry Number 100032-67-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7N5O2S
InChI InChI=1S/C9H7N5O2S/c1-17-9-5(3-11)6(12)4(2-10)7(13)8(9)14(15)16/h12-13H2,1H3
InChIKey ZWUXJVWHIRLXRX-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference H. Schaefer, K. Gewald, J. Prakt. Chem. 327, 328 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6