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(-)-N.alpha.-tert-Butoxycarbonyl-L-histidine methyl ester
SpectraBase Compound ID J2dBuHn3xUM
InChI InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)5-8-6-13-7-14-8/h6-7,9H,5H2,1-4H3,(H,13,14)(H,15,17)/t9-/m0/s1
InChIKey RWEVEEORUORBAX-VIFPVBQESA-N
Mol Weight 269.3 g/mol
Molecular Formula C12H19N3O4
Exact Mass 269.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wz2O7LE00
Name (-)-N.alpha.-tert-Butoxycarbonyl-L-histidine methyl ester
Appearance White solid
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Formula C12H19N3O4
InChI InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)5-8-6-13-7-14-8/h6-7,9H,5H2,1-4H3,(H,13,14)(H,15,17)/t9-/m0/s1
InChIKey RWEVEEORUORBAX-VIFPVBQESA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.404
Molecular Weight 269.301 g/mol
Optical Rotation [a]D20 = -10 (c = 1, MeOH)
SMILES [nH]1cc(C[C@@](C(OC)=O)(NC(=O)OC(C)(C)C)[H])nc1
SPLASH splash10-053r-9300000000-6f06bed8675cd45df328
Source of Spectrum ARK-2004-30-2
Wiley ID 1875960