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2,2-bis(nitromethyl)butane

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2,2-bis(nitromethyl)butane
SpectraBase Compound ID EeFWpsEk4qj
InChI InChI=1S/C6H12N2O4/c1-3-6(2,4-7(9)10)5-8(11)12/h3-5H2,1-2H3
InChIKey VUBOCRBRIDCPDX-UHFFFAOYSA-N
Mol Weight 176.17 g/mol
Molecular Formula C6H12N2O4
Exact Mass 176.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gJA3vNcA3b
Name VUBOCRBRIDCPDX-UHFFFAOYSA-N
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H12N2O4
InChI InChI=1S/C6H12N2O4/c1-3-6(2,4-7(9)10)5-8(11)12/h3-5H2,1-2H3
InChIKey VUBOCRBRIDCPDX-UHFFFAOYSA-N
Literature Reference Author P.B.KISANGA,J.G.VERKADE
Literature Reference Citation J.ORG.CHEM.,64,4298(1999)
Literature Reference DOI 10.1021/jo9818733
Molecular Weight 176.172 g/mol
Sample ID 57868
Solvent CDCl3