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Xanthine, 8-[4-[(hydrazinocarbonyl)methoxy]phenyl]-1,3-dipropyl-
SpectraBase Compound ID AUvfl0KbfH2
InChI InChI=1S/C19H24N6O4/c1-3-9-24-17-15(18(27)25(10-4-2)19(24)28)21-16(22-17)12-5-7-13(8-6-12)29-11-14(26)23-20/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22)(H,23,26)
InChIKey IBDKKSRMRJMAGL-UHFFFAOYSA-N
Mol Weight 400.44 g/mol
Molecular Formula C19H24N6O4
Exact Mass 400.185903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FIyPtXcqK7
Name Xanthine, 8-[4-[(hydrazinocarbonyl)methoxy]phenyl]-1,3-dipropyl-
Comments Computed using HOSE algorithm
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Exact Mass 400.185903273 u
Formula C19H24N6O4
InChI InChI=1S/C19H24N6O4/c1-3-9-24-17-15(18(27)25(10-4-2)19(24)28)21-16(22-17)12-5-7-13(8-6-12)29-11-14(26)23-20/h5-8H,3-4,9-11,20H2,1-2H3,(H,21,22)(H,23,26)
InChIKey IBDKKSRMRJMAGL-UHFFFAOYSA-N
Molecular Weight 400.439 g/mol
SMILES C12=C(C(N(C(N2CCC)=O)CCC)=O)N=C(N1)C1=CC=C(C=C1)OCC(NN)=O