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Indomethacin, butyl ester

View entire compound with spectra: 1 NMR

Indomethacin, butyl ester
SpectraBase Compound ID IcqX8sATzWf
InChI InChI=1S/C23H24ClNO4/c1-4-5-12-29-22(26)14-19-15(2)25(21-11-10-18(28-3)13-20(19)21)23(27)16-6-8-17(24)9-7-16/h6-11,13H,4-5,12,14H2,1-3H3
InChIKey ANRBLZZRYMCUQR-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 24tKrPHLvpD
Name Indomethacin, butyl 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/c1-4-5-12-29-22(26)14-19-15(2)25(21-11-10-18(28-3)13-20(19)21)23(27)16-6-8-17(24)9-7-16/h6-11,13H,4-5,12,14H2,1-3H3
InChIKey ANRBLZZRYMCUQR-UHFFFAOYSA-N
Molecular Weight 413.901 g/mol
SMILES C1=CC2=C(C=C1OC)C(CC(=O)OCCCC)=C(N2C(=O)C1=CC=C(C=C1)Cl)C