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Tyrosine, N-benzoyl-N-N-butyl-, N-butyl ester

View entire compound with spectra: 1 NMR

Tyrosine, N-benzoyl-N-N-butyl-, N-butyl ester
SpectraBase Compound ID BSwAgU6WPDS
InChI InChI=1S/C24H31NO4/c1-3-5-16-25(23(27)20-10-8-7-9-11-20)22(24(28)29-17-6-4-2)18-19-12-14-21(26)15-13-19/h7-15,22,26H,3-6,16-18H2,1-2H3
InChIKey XEXYBNLVDWLCKJ-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C24H31NO4
Exact Mass 397.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fy116r7Lt5a
Name Tyrosine, N-benzoyl-N-N-butyl-, N-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.225308478 u
Formula C24H31NO4
InChI InChI=1S/C24H31NO4/c1-3-5-16-25(23(27)20-10-8-7-9-11-20)22(24(28)29-17-6-4-2)18-19-12-14-21(26)15-13-19/h7-15,22,26H,3-6,16-18H2,1-2H3
InChIKey XEXYBNLVDWLCKJ-UHFFFAOYSA-N
Molecular Weight 397.515 g/mol
SMILES C1=C(C=CC(=C1)O)CC(N(CCCC)C(=O)C=1C=CC=CC1)C(=O)OCCCC