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1-Methyl-4-[N-(t-butoxycarbonyl)-N-methylamino]-5-(N-methylcarbamoyl)-imidazole
SpectraBase Compound ID 51YNUnzKTd
InChI InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)16(6)9-8(10(17)13-4)15(5)7-14-9/h7H,1-6H3,(H,13,17)
InChIKey SGCOSHQFACPTLM-UHFFFAOYSA-N
Mol Weight 268.32 g/mol
Molecular Formula C12H20N4O3
Exact Mass 268.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2DOq3rIXwG
Name 1-Methyl-4-[N-(t-butoxycarbonyl)-N-methylamino]-5-(N-methylcarbamoyl)-imidazole
Alternate Name(s) t-BOC-caffeidine
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Formula C12H20N4O3
InChI InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)16(6)9-8(10(17)13-4)15(5)7-14-9/h7H,1-6H3,(H,13,17)
InChIKey SGCOSHQFACPTLM-UHFFFAOYSA-N
Molecular Weight 268.317 g/mol
SMILES N(C(c1c(nc[n]1C)N(C(OC(C)(C)C)=O)C)=O)C
SPLASH splash10-014i-0950000000-928f90a24aa82e4693b3
Source of Spectrum CRT-6-52-8
Wiley ID 1709378