7,7'-Methylenebis[theophyline]

SpectraBase Compound ID	DPZaFaBMqTo
InChI	InChI=1S/C15H16N8O4/c1-18-10-8(12(24)20(3)14(18)26)22(5-16-10)7-23-6-17-11-9(23)13(25)21(4)15(27)19(11)2/h5-6H,7H2,1-4H3
InChIKey	CAXWOQDAIYQFFX-UHFFFAOYSA-N Google Search
Mol Weight	372.35 g/mol
Molecular Formula	C15H16N8O4
Exact Mass	372.129451 g/mol

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SpectraBase Spectrum ID	AUuRurtFvNs
Name	7,7'-Methylenebis[theophyline]
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H16N8O4
InChI	InChI=1S/C15H16N8O4/c1-18-10-8(12(24)20(3)14(18)26)22(5-16-10)7-23-6-17-11-9(23)13(25)21(4)15(27)19(11)2/h5-6H,7H2,1-4H3
InChIKey	CAXWOQDAIYQFFX-UHFFFAOYSA-N
Molecular Weight	372.345 g/mol
SMILES	c12c(C(=O)N(C(N2C)=O)C)[n](C[n]2c3c(N(C)C(N(C3=O)C)=O)nc2)cn1
SPLASH	splash10-006x-0905000000-4d5dbd078294f74f9b0c
Source of Spectrum	AJ-67-207-2
Wiley ID	772571