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Isothipendyl-M (bis-nor-) AC
SpectraBase Compound ID 2RlFjUHrZNc
InChI InChI=1S/C16H17N3OS/c1-11(18-12(2)20)10-19-13-6-3-4-7-14(13)21-15-8-5-9-17-16(15)19/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKey XASMCFUVQVGXLB-UHFFFAOYSA-N
Mol Weight 299.39 g/mol
Molecular Formula C16H17N3OS
Exact Mass 299.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuZ03fs4NZz
Name Isothipendyl-M (bis-nor-) AC
Classification Antihistamine
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Exact Mass 299.109233352 u
Formula C16H17N3OS
InChI InChI=1S/C16H17N3OS/c1-11(18-12(2)20)10-19-13-6-3-4-7-14(13)21-15-8-5-9-17-16(15)19/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKey XASMCFUVQVGXLB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 299.392 g/mol
SMILES c12Sc3c(cccc3)N(CC(NC(=O)C)C)c2nccc1
SPLASH splash10-03di-1590000000-8dc2896489eba6ed2a4d
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_1662