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Histidine, N-T-butyloxycarbonyl-1-benzyloxymethyl-, methyl ester

View entire compound with spectra: 1 NMR

Histidine, N-T-butyloxycarbonyl-1-benzyloxymethyl-, methyl ester
SpectraBase Compound ID B1CFtLundKZ
InChI InChI=1S/C20H27N3O5/c1-20(2,3)28-19(25)22-17(18(24)26-4)10-16-11-21-13-23(16)14-27-12-15-8-6-5-7-9-15/h5-9,11,13,17H,10,12,14H2,1-4H3,(H,22,25)
InChIKey OZTSHWHLUGXROY-UHFFFAOYSA-N
Mol Weight 389.45 g/mol
Molecular Formula C20H27N3O5
Exact Mass 389.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2wHz4THiYf
Name Histidine, N-T-butyloxycarbonyl-1-benzyloxymethyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.195070976 u
Formula C20H27N3O5
InChI InChI=1S/C20H27N3O5/c1-20(2,3)28-19(25)22-17(18(24)26-4)10-16-11-21-13-23(16)14-27-12-15-8-6-5-7-9-15/h5-9,11,13,17H,10,12,14H2,1-4H3,(H,22,25)
InChIKey OZTSHWHLUGXROY-UHFFFAOYSA-N
Molecular Weight 389.452 g/mol
SMILES C1=NC=C(N1COCC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)OC