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L-Histidine, N,N'-bis(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID JhCZFOdVbO8
InChI InChI=1S/C15H23N3O6/c1-4-6-23-14(20)17-12(13(19)22-3)8-11-9-16-10-18(11)15(21)24-7-5-2/h9-10,12H,4-8H2,1-3H3,(H,17,20)
InChIKey HKMDDXDHLXFODE-UHFFFAOYSA-N
Mol Weight 341.36 g/mol
Molecular Formula C15H23N3O6
Exact Mass 341.158685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaToxRGwbuR
Name L-Histidine, N,N'-bis(N-propyloxycarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 341.158685467 u
Formula C15H23N3O6
InChI InChI=1S/C15H23N3O6/c1-4-6-23-14(20)17-12(13(19)22-3)8-11-9-16-10-18(11)15(21)24-7-5-2/h9-10,12H,4-8H2,1-3H3,(H,17,20)
InChIKey HKMDDXDHLXFODE-UHFFFAOYSA-N
Molecular Weight 341.364 g/mol
SMILES C(CC1=CN=CN1C(OCCC)=O)(C(OC)=O)NC(OCCC)=O