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Tienylic acid TMS
SpectraBase Compound ID HJZUfS2vL5o
InChI InChI=1S/C16H16Cl2O4SSi/c1-24(2,3)22-13(19)9-21-11-7-6-10(14(17)15(11)18)16(20)12-5-4-8-23-12/h4-8H,9H2,1-3H3
InChIKey GCRFHCONAQJJCW-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C16H16Cl2O4SSi
Exact Mass 401.991562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20b3KeXAuG
Name Tienylic acid TMS
Classification Diuretic
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Exact Mass 401.991562100 u
Formula C16H16O4Cl2SSi
InChI InChI=1S/C16H16Cl2O4SSi/c1-24(2,3)22-13(19)9-21-11-7-6-10(14(17)15(11)18)16(20)12-5-4-8-23-12/h4-8H,9H2,1-3H3
InChIKey GCRFHCONAQJJCW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 403.351 g/mol
SMILES C[Si](OC(COc1ccc(C(c2cccs2)=O)c(Cl)c1Cl)=O)(C)C
SPLASH splash10-0229-9615100000-33eb582bc4dd2f91c1af
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_7422