John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=G54Edg0QmwK SpectraBase Spectrum ID=1iqDLbmg1zi

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(1-E)-2-(2',4'-DIAMINO-6'-OXO-1',6'-DIHYDRO-5'-PYRIMIDINYL)-4-PHENYLBUTANALOXIME
SpectraBase Compound ID G54Edg0QmwK
InChI InChI=1S/C14H17N5O2/c15-12-11(13(20)19-14(16)18-12)10(8-17-21)7-6-9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H5,15,16,18,19,20)/b17-8+
InChIKey MGYHIWPSLFGWIZ-CAOOACKPSA-N
Mol Weight 287.32 g/mol
Molecular Formula C14H17N5O2
Exact Mass 287.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iqDLbmg1zi
Name (1-E)-2-(2',4'-DIAMINO-6'-OXO-1',6'-DIHYDRO-5'-PYRIMIDINYL)-4-PHENYLBUTANALOXIME
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N5O2
InChI InChI=1S/C14H17N5O2/c15-12-11(13(20)19-14(16)18-12)10(8-17-21)7-6-9-4-2-1-3-5-9/h1-5,8,10,21H,6-7H2,(H5,15,16,18,19,20)/b17-8+
InChIKey MGYHIWPSLFGWIZ-CAOOACKPSA-N
Literature Reference Author L.B.TULLOCH,V.P.MARTINI,J.IULEK,J.K.HUGGAN,J.H.LEE,C.L.GIBSO N,T.K.SMITH,C.J.SUCK
Literature Reference Citation J.MED.CHEM.,53,221(2010)
Literature Reference DOI 10.1021/jm901059x
Molecular Weight 286.313 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45181
SpectraBase Batch ID E1KnfEE6NQo