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2-[(4-methylphenyl)sulfinyl]-1-(4-pyridyl)ethanone
SpectraBase Compound ID 7TiybFfcS2J
InChI InChI=1S/C14H13NO2S/c1-11-2-4-13(5-3-11)18(17)10-14(16)12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKey GMEMSMRRDQOZJS-UHFFFAOYSA-N
Mol Weight 259.32 g/mol
Molecular Formula C14H13NO2S
Exact Mass 259.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vrcU7RI1K1
Name 2-[(4-methylphenyl)sulfinyl]-1-(4-pyridyl)ethanone
Alternate Name(s) 2-[(4-methylphenyl)sulfinyl]-1-(4-pyridinyl)ethanone
CAS Registry Number 124992-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO2S
InChI InChI=1S/C14H13NO2S/c1-11-2-4-13(5-3-11)18(17)10-14(16)12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKey GMEMSMRRDQOZJS-UHFFFAOYSA-N
Molecular Weight 259.323 g/mol
SMILES C(S(c1ccc(cc1)C)=O)C(=O)c1ccncc1
SPLASH splash10-000i-3920000000-040ff9eb8d879de931c3
Source of Spectrum J-55-2126-5
Wiley ID 1262661