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L-pro-L-tyr, N,o-di(N-Propyloxycarbonyl)-, N-propyl ester (isomer 1)
SpectraBase Compound ID GtwxfbOcMKN
InChI InChI=1S/C25H36N2O8/c1-4-14-32-23(29)20(17-18-9-11-19(12-10-18)35-25(31)34-16-6-3)26-22(28)21-8-7-13-27(21)24(30)33-15-5-2/h9-12,20-21H,4-8,13-17H2,1-3H3,(H,26,28)
InChIKey NTDZDBGMHPJBRU-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C25H36N2O8
Exact Mass 492.247166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uRzdTCx9dt
Name L-pro-L-tyr, N,o-di(N-Propyloxycarbonyl)-, N-propyl ester (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 492.247166119 u
Formula C25H36N2O8
InChI InChI=1S/C25H36N2O8/c1-4-14-32-23(29)20(17-18-9-11-19(12-10-18)35-25(31)34-16-6-3)26-22(28)21-8-7-13-27(21)24(30)33-15-5-2/h9-12,20-21H,4-8,13-17H2,1-3H3,(H,26,28)
InChIKey NTDZDBGMHPJBRU-UHFFFAOYSA-N
Molecular Weight 492.569 g/mol
SMILES C(C1N(CCC1)C(OCCC)=O)(=O)NC(C(=O)OCCC)CC1=CC=C(C=C1)OC(OCCC)=O