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Indomethacin, nonyl ester

View entire compound with spectra: 1 NMR

Indomethacin, nonyl ester
SpectraBase Compound ID 2psOsTRqeJ0
InChI InChI=1S/C28H34ClNO4/c1-4-5-6-7-8-9-10-17-34-27(31)19-24-20(2)30(26-16-15-23(33-3)18-25(24)26)28(32)21-11-13-22(29)14-12-21/h11-16,18H,4-10,17,19H2,1-3H3
InChIKey PGYBIROPCQZURG-UHFFFAOYSA-N
Mol Weight 484.0 g/mol
Molecular Formula C28H34ClNO4
Exact Mass 483.217636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1D6jFSGtYF2
Name Indomethacin, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.217636275 u
Formula C28H34ClNO4
InChI InChI=1S/C28H34ClNO4/c1-4-5-6-7-8-9-10-17-34-27(31)19-24-20(2)30(26-16-15-23(33-3)18-25(24)26)28(32)21-11-13-22(29)14-12-21/h11-16,18H,4-10,17,19H2,1-3H3
InChIKey PGYBIROPCQZURG-UHFFFAOYSA-N
Molecular Weight 484.036 g/mol
SMILES C1=CC2=C(C=C1OC)C(CC(=O)OCCCCCCCCC)=C(N2C(=O)C1=CC=C(C=C1)Cl)C