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Ticlopidine-M (HO-) isomer-1 AC
SpectraBase Compound ID 6mYblCocQwZ
InChI InChI=1S/C16H16ClNO2S/c1-11(19)20-14-3-2-12(15(17)8-14)9-18-6-4-16-13(10-18)5-7-21-16/h2-3,5,7-8H,4,6,9-10H2,1H3
InChIKey YMAWOXIJJZDOPR-UHFFFAOYSA-N
Mol Weight 321.82 g/mol
Molecular Formula C16H16ClNO2S
Exact Mass 321.059028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUJS9LNTAbo
Name Ticlopidine-M (HO-) isomer-1 AC
Classification Thromb.aggr.inhib.
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 321.059027631 u
Formula C16H16ClNO2S
InChI InChI=1S/C16H16ClNO2S/c1-11(19)20-14-3-2-12(15(17)8-14)9-18-6-4-16-13(10-18)5-7-21-16/h2-3,5,7-8H,4,6,9-10H2,1H3
InChIKey YMAWOXIJJZDOPR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 321.822 g/mol
SMILES C1c2c(CN(Cc3c(cc(cc3)OC(C)=O)Cl)C1)ccs2
SPLASH splash10-03di-2911000000-a6d483afb04bc510fc4e
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: U+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_6475