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Isothipendyl-M (nor-sulfoxide) AC
SpectraBase Compound ID 2Ooa1c7chLX
InChI InChI=1S/C17H19N3O2S/c1-12(19(3)13(2)21)11-20-14-7-4-5-8-15(14)23(22)16-9-6-10-18-17(16)20/h4-10,12H,11H2,1-3H3
InChIKey ZTABXQXHLNOOID-UHFFFAOYSA-N
Mol Weight 329.42 g/mol
Molecular Formula C17H19N3O2S
Exact Mass 329.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QvWWZjpuDR
Name Isothipendyl-M (nor-sulfoxide) AC
Classification Antihistamine
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Exact Mass 329.119798036 u
Formula C17H19N3O2S
InChI InChI=1S/C17H19N3O2S/c1-12(19(3)13(2)21)11-20-14-7-4-5-8-15(14)23(22)16-9-6-10-18-17(16)20/h4-10,12H,11H2,1-3H3
InChIKey ZTABXQXHLNOOID-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.418 g/mol
SMILES c1cc2S(c3c(N(c2cc1)CC(N(C)C(C)=O)C)nccc3)=O
SPLASH splash10-08fr-6891000000-c6561b1e8c052b936f33
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_2686