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Ethanone, 2-[(1-methyl-1H-pyrrol-2-yl)thio]-1-phenyl-
SpectraBase Compound ID 2r88vqwt3IJ
InChI InChI=1S/C13H13NOS/c1-14-9-5-8-13(14)16-10-12(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKey NCCSGIQGAACOCI-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 5LHX4PHIZpT
Name Ethanone, 2-[(1-methyl-1H-pyrrol-2-yl)thio]-1-phenyl-
Alternate Name(s) 2-(1'-Methylpyrrol-2'-ylthio)-1-phenylethanone 2-[(1-methyl-1H-pyrrol-2-yl)sulfanyl]-1-phenylethanone
CAS Registry Number 107377-20-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NOS
InChI InChI=1S/C13H13NOS/c1-14-9-5-8-13(14)16-10-12(15)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKey NCCSGIQGAACOCI-UHFFFAOYSA-N
Molecular Weight 231.313 g/mol
SMILES c1([n](ccc1)C)SCC(=O)c1ccccc1
SPLASH splash10-03di-0930000000-bd43bc838b9bbd44cae1
Source of Spectrum B-39-890-2
Wiley ID 1232729