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Sulindac methyl artifact
SpectraBase Compound ID 3fweL97agKu
InChI InChI=1S/C21H19FO3S/c1-13-18(10-14-4-7-16(8-5-14)26(3)24)17-9-6-15(22)11-20(17)19(13)12-21(23)25-2/h4-11H,12H2,1-3H3/b18-10-
InChIKey QQHHBCZJIQNNSG-ZDLGFXPLSA-N
Mol Weight 370.44 g/mol
Molecular Formula C21H19FO3S
Exact Mass 370.103894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM7u00LOO9J
Name 2-[(3Z)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid methyl ester
Alternate Name(s) 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid methyl ester Methyl 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoate Methyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetate Methyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate Sulindac methyl derivative
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Formula C21H19FO3S
InChI InChI=1S/C21H19FO3S/c1-13-18(10-14-4-7-16(8-5-14)26(3)24)17-9-6-15(22)11-20(17)19(13)12-21(23)25-2/h4-11H,12H2,1-3H3/b18-10-
InChIKey QQHHBCZJIQNNSG-ZDLGFXPLSA-N
Molecular Weight 370.438 g/mol
SMILES c1cc(ccc1\C=C/1c2c(cc(cc2)F)C(CC(OC)=O)=C1C)S(C)=O
SPLASH splash10-001j-1292000000-eabb8f24bd59f9b6d3c3
Wiley ID 1507867