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Bezafibrate, N-propyl ester

View entire compound with spectra: 1 NMR

Bezafibrate, N-propyl ester
SpectraBase Compound ID GDNRfOhLUeb
InChI InChI=1S/C22H26ClNO4/c1-4-15-27-21(26)22(2,3)28-19-11-5-16(6-12-19)13-14-24-20(25)17-7-9-18(23)10-8-17/h5-12H,4,13-15H2,1-3H3,(H,24,25)
InChIKey SINWZMKAJJBMBD-UHFFFAOYSA-N
Mol Weight 403.91 g/mol
Molecular Formula C22H26ClNO4
Exact Mass 403.155036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJ3Zvj7KBRE
Name Bezafibrate, N-propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.155036017 u
Formula C22H26ClNO4
InChI InChI=1S/C22H26ClNO4/c1-4-15-27-21(26)22(2,3)28-19-11-5-16(6-12-19)13-14-24-20(25)17-7-9-18(23)10-8-17/h5-12H,4,13-15H2,1-3H3,(H,24,25)
InChIKey SINWZMKAJJBMBD-UHFFFAOYSA-N
Molecular Weight 403.906 g/mol
SMILES C1=C(C=CC(=C1)C(NCCC1=CC=C(C=C1)OC(C)(C)C(=O)OCCC)=O)Cl