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Bezafibrate, 2-methylpropyl ester

View entire compound with spectra: 1 NMR

Bezafibrate, 2-methylpropyl ester
SpectraBase Compound ID 3v972eQKbMn
InChI InChI=1S/C23H28ClNO4/c1-16(2)15-28-22(27)23(3,4)29-20-11-5-17(6-12-20)13-14-25-21(26)18-7-9-19(24)10-8-18/h5-12,16H,13-15H2,1-4H3,(H,25,26)
InChIKey OCQLQJGOWXRQKL-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 9NiXbfIrDJF
Name Bezafibrate, 2-methylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.170686082 u
Formula C23H28ClNO4
InChI InChI=1S/C23H28ClNO4/c1-16(2)15-28-22(27)23(3,4)29-20-11-5-17(6-12-20)13-14-25-21(26)18-7-9-19(24)10-8-18/h5-12,16H,13-15H2,1-4H3,(H,25,26)
InChIKey OCQLQJGOWXRQKL-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)OCC(C)C)=O)Cl