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3,5-Bis(methylthio)-4-(5-nitro-2-furfurylidene)amino-4H-1,2,4-triazole
SpectraBase Compound ID A17nK7cgGbh
InChI InChI=1S/C9H9N5O3S2/c1-18-8-11-12-9(19-2)13(8)10-5-6-3-4-7(17-6)14(15)16/h3-5H,1-2H3/b10-5+
InChIKey IIHSMWGWBKNGIF-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 4uW7K2cVXjC
Name 3,5-Bis(methylthio)-4-(5-nitro-2-furfurylidene)amino-4H-1,2,4-triazole
CAS Registry Number 113698-50-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H9N5O3S2
InChI InChI=1S/C9H9N5O3S2/c1-18-8-11-12-9(19-2)13(8)10-5-6-3-4-7(17-6)14(15)16/h3-5H,1-2H3/b10-5+
InChIKey IIHSMWGWBKNGIF-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