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2-(4,5-dimethyl-3H-1,2-dithiol-3-ylidene)-1-phenyl-ethanone
SpectraBase Compound ID 2ERM8PbWYOI
InChI InChI=1S/C13H12OS2/c1-9-10(2)15-16-13(9)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3/b13-8+
InChIKey ARXINBNCMWDTHA-MDWZMJQESA-N
Mol Weight 248.36 g/mol
Molecular Formula C13H12OS2
Exact Mass 248.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVn7mi1FPIb
Name 2-(4,5-dimethyl-3H-1,2-dithiol-3-ylidene)-1-phenyl-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12OS2
InChI InChI=1S/C13H12OS2/c1-9-10(2)15-16-13(9)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3/b13-8+
InChIKey ARXINBNCMWDTHA-MDWZMJQESA-N
Ionization Type EI
Literature Reference DOI 10.1016/S1044-0305(98)00159-7
Molecular Weight 248.358 g/mol
SMILES c1ccccc1C(\C=C/1SSC(=C1C)C)=O
SPLASH splash10-0532-6980000000-3eb1ec06d17572e40965
Source of Spectrum A7-10-295-295-1
Wiley ID 1848617