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Bezafibrate, N-butyl ester

View entire compound with spectra: 1 NMR

Bezafibrate, N-butyl ester
SpectraBase Compound ID KqI6bM6HI5n
InChI InChI=1S/C23H28ClNO4/c1-4-5-16-28-22(27)23(2,3)29-20-12-6-17(7-13-20)14-15-25-21(26)18-8-10-19(24)11-9-18/h6-13H,4-5,14-16H2,1-3H3,(H,25,26)
InChIKey IHZZXKIBNMZGGC-UHFFFAOYSA-N
Mol Weight 417.93 g/mol
Molecular Formula C23H28ClNO4
Exact Mass 417.170686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pwTec6lpsu
Name Bezafibrate, N-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.170686082 u
Formula C23H28ClNO4
InChI InChI=1S/C23H28ClNO4/c1-4-5-16-28-22(27)23(2,3)29-20-12-6-17(7-13-20)14-15-25-21(26)18-8-10-19(24)11-9-18/h6-13H,4-5,14-16H2,1-3H3,(H,25,26)
InChIKey IHZZXKIBNMZGGC-UHFFFAOYSA-N
Molecular Weight 417.933 g/mol
SMILES C1=C(C=CC(=C1)C(NCCC1=CC=C(C=C1)OC(C)(C)C(=O)OCCCC)=O)Cl