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N-Benzoyl-3-phenylisoserine, 3-methylbutyl ester

View entire compound with spectra: 1 NMR

N-Benzoyl-3-phenylisoserine, 3-methylbutyl ester
SpectraBase Compound ID KasGKleP6cN
InChI InChI=1S/C23H29NO4/c1-4-27-23(26)21(28-16-15-17(2)3)20(18-11-7-5-8-12-18)24-22(25)19-13-9-6-10-14-19/h5-14,17,20-21H,4,15-16H2,1-3H3,(H,24,25)
InChIKey IOSYFBJQRLRTGE-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FISENrJsGlU
Name N-Benzoyl-3-phenylisoserine, 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-4-27-23(26)21(28-16-15-17(2)3)20(18-11-7-5-8-12-18)24-22(25)19-13-9-6-10-14-19/h5-14,17,20-21H,4,15-16H2,1-3H3,(H,24,25)
InChIKey IOSYFBJQRLRTGE-UHFFFAOYSA-N
Molecular Weight 383.488 g/mol
SMILES C1=CC(=CC=C1)C(NC(C1=CC=CC=C1)=O)C(C(OCC)=O)OCCC(C)C