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1,3,7-trimethyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine
SpectraBase Compound ID GspO5aebbRo
InChI InChI=1S/C16H18N6O3/c1-20-12-13(21(2)16(24)22(3)14(12)23)18-15(20)19-17-9-10-5-7-11(25-4)8-6-10/h5-9H,1-4H3,(H,18,19)/b17-9+
InChIKey FHEAHEWSZGLKNP-RQZCQDPDSA-N
Mol Weight 342.36 g/mol
Molecular Formula C16H18N6O3
Exact Mass 342.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5sMvFB3VW2
Name 1,3,7-trimethyl-8-[(N'E)-N'-p-anisylidenehydrazino]xanthine
Alternate Name(s) 8-[(2E)-2-[(4-methoxyphenyl)methylene]hydrazino]-1,3,7-trimethyl-purine-2,6-dione 8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione
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Formula C16H18N6O3
InChI InChI=1S/C16H18N6O3/c1-20-12-13(21(2)16(24)22(3)14(12)23)18-15(20)19-17-9-10-5-7-11(25-4)8-6-10/h5-9H,1-4H3,(H,18,19)/b17-9+
InChIKey FHEAHEWSZGLKNP-RQZCQDPDSA-N
Molecular Weight 342.359 g/mol
SMILES N(c1nc2c(C(=O)N(C(N2C)=O)C)[n]1C)\N=C\c1ccc(cc1)OC
SPLASH splash10-053r-9373000000-e141ced33da4065c4ab3
Source of Spectrum AH-134-569-7
Wiley ID 1546875