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3-(6-Chloro-2-amino-9H-purin-9-yl)-2-(t-butoxycarbonylamino)propanenitrile

View entire compound with spectra: 2 MS (GC)

3-(6-Chloro-2-amino-9H-purin-9-yl)-2-(t-butoxycarbonylamino)propanenitrile
SpectraBase Compound ID 7cJp6FgrCKW
InChI InChI=1S/C13H16ClN7O2/c1-13(2,3)23-12(22)18-7(4-15)5-21-6-17-8-9(14)19-11(16)20-10(8)21/h6-7H,5H2,1-3H3,(H,18,22)(H2,16,19,20)
InChIKey UFZHHIZGBJTDPV-UHFFFAOYSA-N
Mol Weight 337.77 g/mol
Molecular Formula C13H16ClN7O2
Exact Mass 337.1054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFzxfkjD7P4
Name
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Formula C13H16N7O2Cl
InChI InChI=1S/C13H16ClN7O2/c1-13(2,3)23-12(22)18-7(4-15)5-21-6-17-8-9(14)19-11(16)20-10(8)21/h6-7H,5H2,1-3H3,(H,18,22)(H2,16,19,20)
InChIKey UFZHHIZGBJTDPV-UHFFFAOYSA-N
Molecular Weight 337.1052
SMILES N(C(OC(C)(C)C)=O)C(C[n]1cnc2c(nc(N)nc12)Cl)C#N
SPLASH splash10-053r-9620000000-65980708595f4df1840f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany