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7,8-DIHYDRO-7,7-DIMETHYL-6-(4-METHOXYCARBONYLBUTA-1,3-DIENYL)-2-PIVALOYLAMINOPTERIDIN-4(3H)-ONE
SpectraBase Compound ID L7XmLwjZCZQ
InChI InChI=1S/C19H25N5O4/c1-18(2,3)16(27)23-17-21-14-13(15(26)22-17)20-11(19(4,5)24-14)9-7-8-10-12(25)28-6/h7-10H,1-6H3,(H3,21,22,23,24,26,27)/b9-7+,10-8+
InChIKey XHKNOERYQPCPIZ-FIFLTTCUSA-N
Mol Weight 387.44 g/mol
Molecular Formula C19H25N5O4
Exact Mass 387.190654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3sRRcSW5Ej
Name 7,8-DIHYDRO-7,7-DIMETHYL-6-(4-METHOXYCARBONYLBUTA-1,3-DIENYL)-2-PIVALOYLAMINOPTERIDIN-4(3H)-ONE
Compound Number 8H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25N5O4
InChI InChI=1S/C19H25N5O4/c1-18(2,3)16(27)23-17-21-14-13(15(26)22-17)20-11(19(4,5)24-14)9-7-8-10-12(25)28-6/h7-10H,1-6H3,(H3,21,22,23,24,26,27)/b9-7+,10-8+
InChIKey XHKNOERYQPCPIZ-FIFLTTCUSA-N
Literature Reference Author C.L.GIBSON,A.LANG,K.OHTA,C.J.SUCKLING
Literature Reference Citation J.CHEM.SOC.PERKIN-1,163(1999)
Literature Reference DOI 10.1039/a807756h
Molecular Weight 387.439 g/mol
Solvent CDCl3