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Histidine, N-acetyl-2-[[4-methoxycarbonyl]phenylazo]-, methyl(ester)
SpectraBase Compound ID GfiHBRwMPpk
InChI InChI=1S/C17H19N5O5/c1-10(23)19-14(16(25)27-3)8-13-9-18-17(20-13)22-21-12-6-4-11(5-7-12)15(24)26-2/h4-7,9,14H,8H2,1-3H3,(H,18,20)(H,19,23)/b22-21+
InChIKey HPJZHERYAKXLMU-QURGRASLSA-N
Mol Weight 373.37 g/mol
Molecular Formula C17H19N5O5
Exact Mass 373.138619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy5nQsIe7Ud
Name Histidine, N-acetyl-2-[[4-methoxycarbonyl]phenylazo]-, methyl(ester)
Comments Computed using HOSE algorithm
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Exact Mass 373.138618727 u
Formula C17H19N5O5
InChI InChI=1S/C17H19N5O5/c1-10(23)19-14(16(25)27-3)8-13-9-18-17(20-13)22-21-12-6-4-11(5-7-12)15(24)26-2/h4-7,9,14H,8H2,1-3H3,(H,18,20)(H,19,23)/b22-21+
InChIKey HPJZHERYAKXLMU-QURGRASLSA-N
Molecular Weight 373.369 g/mol
SMILES C1(=NC=C(N1)CC(NC(C)=O)C(OC)=O)\N=N\C1=CC=C(C=C1)C(OC)=O