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Acemetacin methyl ester
SpectraBase Compound ID Lpx2EmN07vY
InChI InChI=1S/C22H20ClNO6/c1-13-17(11-20(25)30-12-21(26)29-3)18-10-16(28-2)8-9-19(18)24(13)22(27)14-4-6-15(23)7-5-14/h4-10H,11-12H2,1-3H3
InChIKey WHTHSWYUFZICQE-UHFFFAOYSA-N
Mol Weight 429.86 g/mol
Molecular Formula C22H20ClNO6
Exact Mass 429.097915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AC1WPE97QZM
Name (2-methoxy-2-oxidanylidene-ethyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoate
Alternate Name(s) (2-methoxy-2-oxo-ethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetate 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid (2-keto-2-methoxy-ethyl) ester 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid (2-methoxy-2-oxoethyl) ester
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Formula C22H20ClNO6
InChI InChI=1S/C22H20ClNO6/c1-13-17(11-20(25)30-12-21(26)29-3)18-10-16(28-2)8-9-19(18)24(13)22(27)14-4-6-15(23)7-5-14/h4-10H,11-12H2,1-3H3
InChIKey WHTHSWYUFZICQE-UHFFFAOYSA-N
Molecular Weight 429.856 g/mol
SMILES c12ccc(cc2c(c([n]1C(=O)c1ccc(cc1)Cl)C)CC(OCC(OC)=O)=O)OC
SPLASH splash10-000i-2900000000-c15c3e32142a63964ca7
Wiley ID 1444701