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Pentanoic acid, 4-(dibenzylamino)-2-(formylamino)-3-hydroxy-5-phenyl-, ethyl ester
SpectraBase Compound ID L8VEWvw4si5
InChI InChI=1S/C28H32N2O4/c1-2-34-28(33)26(29-21-31)27(32)25(18-22-12-6-3-7-13-22)30(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,21,25-27,32H,2,18-20H2,1H3,(H,29,31)
InChIKey YKTNSLAPBKACLK-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C28H32N2O4
Exact Mass 460.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xKYo8av4nT
Name Pentanoic acid, 4-(dibenzylamino)-2-(formylamino)-3-hydroxy-5-phenyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.236207514 u
Formula C28H32N2O4
InChI InChI=1S/C28H32N2O4/c1-2-34-28(33)26(29-21-31)27(32)25(18-22-12-6-3-7-13-22)30(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,21,25-27,32H,2,18-20H2,1H3,(H,29,31)
InChIKey YKTNSLAPBKACLK-UHFFFAOYSA-N
Molecular Weight 460.574 g/mol
SMILES C(O)(C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)CC1=CC=CC=C1)C(C(=O)OCC)NC=O