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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 519KzkbaZRr
Name Sulindac methyl artifact
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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
SMILES c12ccc(cc1C(=C(\C2=C/c1ccc(cc1)S(C)=O)C)CC(OC)=O)F
SPLASH splash10-001j-0193000000-2d233ab6a4ef1921d0f4
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences