John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4AsmWP3rJnG SpectraBase Spectrum ID=1If5XWdXrRi

(accessed ).
7-AMINO-1-METHYL-3-PHENYL-4,6,7,7A-TETRAHYDRO-1H-IMIDAZO-[4,5-E]-[1,2,4]-TRIAZIN-6-THIONE
SpectraBase Compound ID 4AsmWP3rJnG
InChI InChI=1S/C11H12N6S.BF4/c1-16-10-9(14-11(18)17(10)12)13-8(15-16)7-5-3-2-4-6-7;2-1(3,4)5/h2-6H,12H2,1H3,(H,13,15)(H,14,18);/q;-1/p+1
InChIKey AJDQPNNQSJWJPU-UHFFFAOYSA-O
Mol Weight 348.1 g/mol
Molecular Formula C11H13BF4N6S
Exact Mass 348.09516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1If5XWdXrRi
Name 7-AMINO-1-METHYL-3-PHENYL-4,6,7,7A-TETRAHYDRO-1H-IMIDAZO-[4,5-E]-[1,2,4]-TRIAZIN-6-THIONE
CAS Registry Number 374110-08-4
Compound Number 8XHBF4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13BF4N6S
InChI InChI=1S/C11H12N6S.BF4/c1-16-10-9(14-11(18)17(10)12)13-8(15-16)7-5-3-2-4-6-7;2-1(3,4)5/h2-6H,12H2,1H3,(H,13,15)(H,14,18);/q;-1/p+1
InChIKey AJDQPNNQSJWJPU-UHFFFAOYSA-O
Literature Reference Author O.N.CHUPAKHIN,G.L.RUSINOV,D.G.BERESNEV,V.N.CHARUSHIN,H.NEUNH OEFFER
Literature Reference Citation J.HETCYCL.CHEM.,38,901(2001)
Literature Reference DOI 10.1002/jhet.5570380414
Molecular Weight 348.128 g/mol
Solvent DMSO-D6
Source File Reference UWLU21371
SpectraBase Batch ID CpumDlNBw0g