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Indomethacin, isobutyl ester

View entire compound with spectra: 1 NMR

Indomethacin, isobutyl ester
SpectraBase Compound ID S2A7xclasy
InChI InChI=1S/C23H24ClNO4/c1-14(2)13-29-22(26)12-19-15(3)25(21-10-9-18(28-4)11-20(19)21)23(27)16-5-7-17(24)8-6-16/h5-11,14H,12-13H2,1-4H3
InChIKey MBMGSPXVGDYMEF-UHFFFAOYSA-N
Mol Weight 413.9 g/mol
Molecular Formula C23H24ClNO4
Exact Mass 413.139386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YjDIPj54gH
Name Indomethacin, isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.139385953 u
Formula C23H24ClNO4
InChI InChI=1S/C23H24ClNO4/c1-14(2)13-29-22(26)12-19-15(3)25(21-10-9-18(28-4)11-20(19)21)23(27)16-5-7-17(24)8-6-16/h5-11,14H,12-13H2,1-4H3
InChIKey MBMGSPXVGDYMEF-UHFFFAOYSA-N
Molecular Weight 413.901 g/mol
SMILES C1=CC2=C(C=C1OC)C(CC(=O)OCC(C)C)=C(N2C(=O)C1=CC=C(C=C1)Cl)C