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1,3-[15N2]-[13C]-Theophylline (BS-7-189-23)
SpectraBase Compound ID HOeclREn3Bn
InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i7+1,10+1,11+1
InChIKey ZFXYFBGIUFBOJW-NBLDSOAPSA-N
Mol Weight 183.15 g/mol
Molecular Formula C613CH8N215N2O2
Exact Mass 183.06215 g/mol
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