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2-Methyl-5-methylthio-4-(5-nitro-2-furfurylidene)amino-2,3-dihydro-1,2,4-triazole-3-thione
SpectraBase Compound ID KIgjYPZVELb
InChI InChI=1S/C9H9N5O3S2/c1-12-9(18)13(8(11-12)19-2)10-5-6-3-4-7(17-6)14(15)16/h3-5H,1-2H3/b10-5+
InChIKey HFLBVHGFCUCTKY-BJMVGYQFSA-N
Mol Weight 299.32 g/mol
Molecular Formula C9H9N5O3S2
Exact Mass 299.014682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5SeESpL510
Name 2-Methyl-5-methylthio-4-(5-nitro-2-furfurylidene)amino-2,3-dihydro-1,2,4-triazole-3-thione
CAS Registry Number 111042-01-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9N5O3S2
InChI InChI=1S/C9H9N5O3S2/c1-12-9(18)13(8(11-12)19-2)10-5-6-3-4-7(17-6)14(15)16/h3-5H,1-2H3/b10-5+
InChIKey HFLBVHGFCUCTKY-BJMVGYQFSA-N
Instrument Name Varian XL-300
Literature Reference B. Mester, R.M. Claramunt, J. Elguero, Magn. Res. Chem. 25, 737 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6