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2-(2-amino-5-benzylsulfanyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone

View entire compound with spectra: 2 MS (GC)

2-(2-amino-5-benzylsulfanyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenyl-ethanone
SpectraBase Compound ID HRX380TbXS4
InChI InChI=1S/C17H15N3OS2/c18-16-20(11-15(21)14-9-5-2-6-10-14)19-17(23-16)22-12-13-7-3-1-4-8-13/h1-10,18H,11-12H2/p+1
InChIKey XUHOLAPFBCMJDN-UHFFFAOYSA-O
Mol Weight 342.46 g/mol
Molecular Formula C17H16N3OS2
Exact Mass 342.073479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62VA4g6TYKw
Name 2-AMINO-3-BENZOYLMETHYL-5-BENZYLTHIO-1,3,4-THIADIAZOLIUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H16N3OS2
InChI InChI=1S/C17H15N3OS2/c18-16-20(11-15(21)14-9-5-2-6-10-14)19-17(23-16)22-12-13-7-3-1-4-8-13/h1-10,18H,11-12H2/p+1
InChIKey XUHOLAPFBCMJDN-UHFFFAOYSA-O
Molecular Weight 342.0732
SMILES Nc1sc(SCc2ccccc2)n[n+]1CC(c1ccccc1)=O
SPLASH splash10-0006-9300000000-40bb591f9932efc0f449
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany