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phe-phe, N-Isopropoxycarbonyl-, methyl ester

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

phe-phe, N-Isopropoxycarbonyl-, methyl ester
SpectraBase Compound ID 1g9JQHSUKrV
InChI InChI=1S/C23H28N2O5/c1-16(2)30-23(28)25-19(14-17-10-6-4-7-11-17)21(26)24-20(22(27)29-3)15-18-12-8-5-9-13-18/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,28)
InChIKey UMOIWHOPBHCUNB-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C23H28N2O5
Exact Mass 412.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbmikLIAFVv
Name phe-phe, N-Isopropoxycarbonyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.199822005 u
Formula C23H28N2O5
InChI InChI=1S/C23H28N2O5/c1-16(2)30-23(28)25-19(14-17-10-6-4-7-11-17)21(26)24-20(22(27)29-3)15-18-12-8-5-9-13-18/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,28)
InChIKey UMOIWHOPBHCUNB-UHFFFAOYSA-N
Molecular Weight 412.486 g/mol
SMILES C1(=CC=CC=C1)CC(C(NC(CC1=CC=CC=C1)C(=O)OC)=O)NC(OC(C)C)=O