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Clopidogrel
SpectraBase Compound ID IWqxn10rmwQ
InChI InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
InChIKey GKTWGGQPFAXNFI-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 KAvcrdPLbQH
Name Clopidogrel
CAS Registry Number 113665-84-2
Classification Thromb.aggr.inhib.
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Exact Mass 321.059027631 u
Formula C16H16ClNO2S
InChI InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3
InChIKey GKTWGGQPFAXNFI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 321.822 g/mol
SMILES c1ccc(C(N2Cc3ccsc3CC2)C(=O)OC)c(Cl)c1
SPLASH splash10-03di-3960000000-6aa1857b683155d9fab1
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: P
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_5704