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Indomethacin, octyl ester

View entire compound with spectra: 1 NMR

Indomethacin, octyl ester
SpectraBase Compound ID 1YjOFiancTI
InChI InChI=1S/C27H32ClNO4/c1-4-5-6-7-8-9-16-33-26(30)18-23-19(2)29(25-15-14-22(32-3)17-24(23)25)27(31)20-10-12-21(28)13-11-20/h10-15,17H,4-9,16,18H2,1-3H3
InChIKey UFPZDYZMJGWJFG-UHFFFAOYSA-N
Mol Weight 470.0 g/mol
Molecular Formula C27H32ClNO4
Exact Mass 469.201986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqWg1MCBjpS
Name Indomethacin, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.201986210 u
Formula C27H32ClNO4
InChI InChI=1S/C27H32ClNO4/c1-4-5-6-7-8-9-16-33-26(30)18-23-19(2)29(25-15-14-22(32-3)17-24(23)25)27(31)20-10-12-21(28)13-11-20/h10-15,17H,4-9,16,18H2,1-3H3
InChIKey UFPZDYZMJGWJFG-UHFFFAOYSA-N
Molecular Weight 470.009 g/mol
SMILES C1=CC2=C(C=C1OC)C(CC(=O)OCCCCCCCC)=C(N2C(=O)C1=CC=C(C=C1)Cl)C