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2-Anilino-3-(1-methylbut-3-enyl)pteridin-4(3H)-one
SpectraBase Compound ID EVq0P22XvRg
InChI InChI=1S/C17H17N5O/c1-3-7-12(2)22-16(23)14-15(19-11-10-18-14)21-17(22)20-13-8-5-4-6-9-13/h3-6,8-12H,1,7H2,2H3,(H,19,20,21)
InChIKey YBSCTPPPVOMXJF-UHFFFAOYSA-N
Mol Weight 307.36 g/mol
Molecular Formula C17H17N5O
Exact Mass 307.14331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIWOvlyA945
Name 2-ANILINO-3-(1-METHYLBUT-3-ENYL)-PTERIDIN-4(3H)-ONE
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N5O
InChI InChI=1S/C17H17N5O/c1-3-7-12(2)22-16(23)14-15(19-11-10-18-14)21-17(22)20-13-8-5-4-6-9-13/h3-6,8-12H,1,7H2,2H3,(H,19,20,21)
InChIKey YBSCTPPPVOMXJF-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 307.355 g/mol
Solvent DMSO-D6
Source File Reference UWGE3953