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6,7-DIHYDROXY-3-METHYLTHIO-7-PHENYL-5,6,7,8-TETRAHYDROPYRAZINO-[2,3-E]-AS-TRIAZINE
SpectraBase Compound ID IZAV8uIlej
InChI InChI=1S/C12H13N5O2S/c1-20-11-14-8-9(16-17-11)15-12(19,10(18)13-8)7-5-3-2-4-6-7/h2-6,10,18-19H,1H3,(H,15,16)(H,13,14,17)/t10-,12-/m0/s1
InChIKey MELYSTUJBLCTIH-JQWIXIFHSA-N
Mol Weight 291.33 g/mol
Molecular Formula C12H13N5O2S
Exact Mass 291.078996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWeibwuuke7
Name 6,7-DIHYDROXY-3-METHYLTHIO-7-PHENYL-5,6,7,8-TETRAHYDROPYRAZINO-[2,3-E]-AS-TRIAZINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N5O2S
InChI InChI=1S/C12H13N5O2S/c1-20-11-14-8-9(16-17-11)15-12(19,10(18)13-8)7-5-3-2-4-6-7/h2-6,10,18-19H,1H3,(H,15,16)(H,13,14,17)/t10-,12-/m0/s1
InChIKey MELYSTUJBLCTIH-JQWIXIFHSA-N
Literature Reference Author K.H.LEE,B.R.HUANG,Y.L.CHEN,C.C.TZENG
Literature Reference Citation HETEROCYCLES,36,2577(1993)
Literature Reference DOI 10.3987/COM-93-6490
Molecular Weight 291.328 g/mol
Solvent DMSO-D6
Source File Reference UWCP6341