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6-Methyl-4-(5-nitro-2-furfurylidene)amino-2,3,4,5-tetrahydro-1,2,4-triazin-5-one-3-thione
SpectraBase Compound ID Ky8O15Wg7X4
InChI InChI=1S/C9H7N5O4S/c1-5-8(15)13(9(19)12-11-5)10-4-6-2-3-7(18-6)14(16)17/h2-4H,1H3,(H,12,19)/b10-4+
InChIKey UZEYTYIIBYFFSG-ONNFQVAWSA-N
Mol Weight 281.25 g/mol
Molecular Formula C9H7N5O4S
Exact Mass 281.021875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1qr3ei3xQv
Name 6-Methyl-4-(5-nitro-2-furfurylidene)amino-2,3,4,5-tetrahydro-1,2,4-triazin-5-one-3-thione
CAS Registry Number 113698-51-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H7N5O4S
InChI InChI=1S/C9H7N5O4S/c1-5-8(15)13(9(19)12-11-5)10-4-6-2-3-7(18-6)14(16)17/h2-4H,1H3,(H,12,19)/b10-4+
InChIKey UZEYTYIIBYFFSG-ONNFQVAWSA-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