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1-[2-(methylsulfanyl)-5-phenyl-1H-pyrrol-3-yl]ethanone
SpectraBase Compound ID 8w3gjQCqCE4
InChI InChI=1S/C13H13NOS/c1-9(15)11-8-12(14-13(11)16-2)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKey SXAKEHSGWXMWFG-UHFFFAOYSA-N
Mol Weight 231.31 g/mol
Molecular Formula C13H13NOS
Exact Mass 231.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0syZFM9ovm
Name 1-[2-(methylsulfanyl)-5-phenyl-1H-pyrrol-3-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c1-9(15)11-8-12(14-13(11)16-2)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKey SXAKEHSGWXMWFG-UHFFFAOYSA-N
Molecular Weight 231.313 g/mol
SMILES [nH]1c(cc(c1SC)C(=O)C)-c1ccccc1
SPLASH splash10-00lr-0290000000-77f58c48e7efceb78bb3
Source of Spectrum QF-45-1722-2
Synonyms 1-[2-(methylthio)-5-phenyl-1H-pyrrol-3-yl]ethanone
Wiley ID 833380