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N(.alpha.)-(Methoxycarbonyl)-1-methyl-L-histidine methyl ester
SpectraBase Compound ID 5AQnAVjNQ3l
InChI InChI=1S/C10H15N3O4/c1-13-5-7(11-6-13)4-8(9(14)16-2)12-10(15)17-3/h5-6,8H,4H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKey KSOQJRGWPBAPRO-QMMMGPOBSA-N
Mol Weight 241.25 g/mol
Molecular Formula C10H15N3O4
Exact Mass 241.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hj2Y7Z9eL5S
Name N(.alpha.)-(Methoxycarbonyl)-1-methyl-L-histidine methyl ester
Alternate Name(s) Methyl (2S)-2-[(methoxycarbonyl)amino]-3-(1-methyl-1H-imidazol-4-yl)propanoate
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Formula C10H15N3O4
InChI InChI=1S/C10H15N3O4/c1-13-5-7(11-6-13)4-8(9(14)16-2)12-10(15)17-3/h5-6,8H,4H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKey KSOQJRGWPBAPRO-QMMMGPOBSA-N
Molecular Weight 241.247 g/mol
SMILES N(C(=O)OC)[C@@](Cc1nc[n](C)c1)(C(=O)OC)[H]
SPLASH splash10-0002-9400000000-25539e96e0cf490eea45
Source of Spectrum H-81-500-14
Wiley ID 1243862