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5-METHYL-4,6-DIOXO-7-PHENYL-1-AZAADAMANTAN-3-CARBONITRILE
SpectraBase Compound ID 3xcO2hciwLf
InChI InChI=1S/C17H16N2O2/c1-15-9-19-10-16(8-18,13(15)20)7-17(11-19,14(15)21)12-5-3-2-4-6-12/h2-6H,7,9-11H2,1H3/t15-,16-,17-/m0/s1
InChIKey IPXTUUPEVGDZJY-ULQDDVLXSA-N
Mol Weight 280.33 g/mol
Molecular Formula C17H16N2O2
Exact Mass 280.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyvdGFx4wIF
Name 5-METHYL-4,6-DIOXO-7-PHENYL-1-AZAADAMANTAN-3-CARBONITRILE
CAS Registry Number 137628-76-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N2O2
InChI InChI=1S/C17H16N2O2/c1-15-9-19-10-16(8-18,13(15)20)7-17(11-19,14(15)21)12-5-3-2-4-6-12/h2-6H,7,9-11H2,1H3/t15-,16-,17-/m0/s1
InChIKey IPXTUUPEVGDZJY-ULQDDVLXSA-N
Literature Reference Author N.RISCH,U.BILLERBECK,E.KRIEGER
Literature Reference Citation CHEM.BER.,125,459(1992)
Literature Reference DOI 10.1002/cber.19921250225
Molecular Weight 280.326 g/mol
Solvent CDCl3
Source File Reference UWCS7979