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3-Anilino-2-sec-butylpteridin-4(3H)-one
SpectraBase Compound ID 93BJMxTt9Ks
InChI InChI=1S/C16H17N5O/c1-3-11(2)21-15(22)13-14(18-10-9-17-13)20-16(21)19-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKey SCBHZOZFPVHXJN-UHFFFAOYSA-N
Mol Weight 295.35 g/mol
Molecular Formula C16H17N5O
Exact Mass 295.14331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DdDQEURC0c
Name 3-ANILINO-2-SEC.-BUTYL-PTERIDIN-4(3H)-ONE
Compound Number 5 G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17N5O
InChI InChI=1S/C16H17N5O/c1-3-11(2)21-15(22)13-14(18-10-9-17-13)20-16(21)19-12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKey SCBHZOZFPVHXJN-UHFFFAOYSA-N
Literature Reference Author T.OKAWA,M.KAWASE,S.EGUCHI,A.KAEHI,M.SHIRO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2277(1998)
Literature Reference DOI 10.1039/a803529f
Molecular Weight 295.344 g/mol
Solvent DMSO-D6
Source File Reference UWGE3948