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METHYL-2-(4,5-DIHYDRO-1H-TETRAZOL-5-YLIDENE)-2-CYANOACETATE
SpectraBase Compound ID LjDh7WSRLMg
InChI InChI=1S/C5H5N5O2/c1-12-5(11)3(2-6)4-7-9-10-8-4/h1H3,(H,7,10)(H,8,9)
InChIKey GNVROTJZYMTLNK-UHFFFAOYSA-N
Mol Weight 167.13 g/mol
Molecular Formula C5H5N5O2
Exact Mass 167.044324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jf26jNOCtYk
Name METHYL-2-(4,5-DIHYDRO-1H-TETRAZOL-5-YLIDENE)-2-CYANOACETATE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H5N5O2
InChI InChI=1S/C5H5N5O2/c1-12-5(11)3(2-6)4-7-9-10-8-4/h1H3,(H,7,10)(H,8,9)
InChIKey GNVROTJZYMTLNK-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 167.127 g/mol
Solvent DMSO-D6
Source File Reference UWCP743