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Clinoril
SpectraBase Compound ID HzlnTPu6kt7
InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChIKey MLKXDPUZXIRXEP-RQZCQDPDSA-N
Mol Weight 356.41 g/mol
Molecular Formula C20H17FO3S
Exact Mass 356.088244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYq2qVpwAMp
Name Sulindac
CAS Registry Number 38194-50-2
Classification Analgesic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 356.088243741 u
Formula C20H17FO3S
InChI InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
InChIKey MLKXDPUZXIRXEP-RQZCQDPDSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 356.411 g/mol
SMILES C=1(C)\C(=C/c2ccc(cc2)S(C)=O)c2c(cc(cc2)F)C1CC(=O)O
SPLASH splash10-0002-1391000000-3c7821058277bba9f75a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1527