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Tiaprofenic acid HYAC
SpectraBase Compound ID 2CoK8LT2xlA
InChI InChI=1S/C16H14O4S/c1-10(16(18)19)13-8-9-14(21-13)15(20-11(2)17)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)/b13-10+,15-14-
InChIKey WITHEYASTVVIEX-XLDKJKIHSA-N
Mol Weight 302.34 g/mol
Molecular Formula C16H14O4S
Exact Mass 302.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk2PRcSvidV
Name Tiaprofenic acid HYAC
Classification Analgesic
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Exact Mass 302.061280101 u
Formula C16H14O4S
InChI InChI=1S/C16H14O4S/c1-10(16(18)19)13-8-9-14(21-13)15(20-11(2)17)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,18,19)/b13-10+,15-14-
InChIKey WITHEYASTVVIEX-XLDKJKIHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 302.344 g/mol
SMILES c1(ccccc1)\C(=C/1S\C(=C\(C(O)=O)C)C=C1)OC(C)=O
SPLASH splash10-014i-7591000000-97e41fce54b66773d8eb
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.
Sample Preparation Procedure Detected: UHYAC
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_2042