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METHYL-(E)-2-[1-(2-METHYL)-4,5-DIHYDRO-1H-TETRAZOL-5-YLIDENE]-2-CYANOACETATE-METHYLAMMONIUM-SALT
SpectraBase Compound ID CdRjOnCs0vk
InChI InChI=1S/C6H7N5O2.CH5N/c1-11-5(8-9-10-11)4(3-7)6(12)13-2;1-2/h1-2H3,(H,8,10,12);2H2,1H3
InChIKey YUWCHLMBTDSCIJ-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C7H12N6O2
Exact Mass 212.102174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjOgpCPhJmE
Name METHYL-(E)-2-[1-(2-METHYL)-4,5-DIHYDRO-1H-TETRAZOL-5-YLIDENE]-2-CYANOACETATE-METHYLAMMONIUM-SALT
CAS Registry Number 139334-16-0
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12N6O2
InChI InChI=1S/C6H7N5O2.CH5N/c1-11-5(8-9-10-11)4(3-7)6(12)13-2;1-2/h1-2H3,(H,8,10,12);2H2,1H3
InChIKey YUWCHLMBTDSCIJ-UHFFFAOYSA-N
Literature Reference Author R.W.SAALFRANK,C.J.LURZ,U.WIRTH,H.G.VONSCHNERING,K.PETERS
Literature Reference Citation J.HETCYCL.CHEM.,28,1863(1991)
Literature Reference DOI 10.1002/jhet.5570280811
Molecular Weight 212.211 g/mol
Solvent DMSO-D6
Source File Reference UWCP745