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GRSMZBIJGZOZAN-WGTSGOJVSA-N
SpectraBase Compound ID 3FWuIhjyrQt
InChI InChI=1S/C12H14N4S/c17-12-10-11(13-5-14-12)16(6-15-10)9-4-7-1-2-8(9)3-7/h5-9H,1-4H2,(H,13,14,17)/t7-,8+,9?/m1/s1
InChIKey GRSMZBIJGZOZAN-WGTSGOJVSA-N
Mol Weight 246.33 g/mol
Molecular Formula C12H14N4S
Exact Mass 246.093918 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp0MVmqUIyJ
Name GRSMZBIJGZOZAN-WGTSGOJVSA-N
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N4S
InChI InChI=1S/C12H14N4S/c17-12-10-11(13-5-14-12)16(6-15-10)9-4-7-1-2-8(9)3-7/h5-9H,1-4H2,(H,13,14,17)/t7-,8+,9?/m1/s1
InChIKey GRSMZBIJGZOZAN-WGTSGOJVSA-N
Literature Reference Author E.PROCHAZKOVA,M.SALA,R.NENCKA,M.DRACINSKY
Literature Reference Citation MAGN.RES.CHEM.,50,181(2012)
Literature Reference DOI 10.1002/mrc.2864
Solvent DMSO-D6
Source File Reference UWBT16045