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phe-phe, N-Ethoxycarbonyl-, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

phe-phe, N-Ethoxycarbonyl-, methyl ester
SpectraBase Compound ID KpmuhQVeqVB
InChI InChI=1S/C22H26N2O5/c1-3-29-22(27)24-18(14-16-10-6-4-7-11-16)20(25)23-19(21(26)28-2)15-17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKey IKRYMHXPYVRWRV-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C22H26N2O5
Exact Mass 398.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9unbhjo3wML
Name phe-phe, N-Ethoxycarbonyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.184171940 u
Formula C22H26N2O5
InChI InChI=1S/C22H26N2O5/c1-3-29-22(27)24-18(14-16-10-6-4-7-11-16)20(25)23-19(21(26)28-2)15-17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3,(H,23,25)(H,24,27)
InChIKey IKRYMHXPYVRWRV-UHFFFAOYSA-N
Molecular Weight 398.459 g/mol
SMILES C1=CC=CC(=C1)CC(C(OC)=O)NC(C(CC1=CC=CC=C1)NC(OCC)=O)=O