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1H-Pyrrole-2-carbonitrile, 3-methyl-1-[[(4-methylphenyl)sulfonyl]oxy]-
SpectraBase Compound ID A7tvCpUfs8t
InChI InChI=1S/C13H12N2O3S/c1-10-3-5-12(6-4-10)19(16,17)18-15-8-7-11(2)13(15)9-14/h3-8H,1-2H3
InChIKey NCEMNHNLPMDTPX-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0ni1z1t7Wi
Name 1H-Pyrrole-2-carbonitrile, 3-methyl-1-[[(4-methylphenyl)sulfonyl]oxy]-
CAS Registry Number 59027-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-10-3-5-12(6-4-10)19(16,17)18-15-8-7-11(2)13(15)9-14/h3-8H,1-2H3
InChIKey NCEMNHNLPMDTPX-UHFFFAOYSA-N
Molecular Weight 276.310 g/mol
SMILES c1([n](OS(c2ccc(cc2)C)(=O)=O)ccc1C)C#N
SPLASH splash10-052f-9600000000-1764a3abaf31a3281b08
Source of Spectrum C-98-1483-0
Synonyms 2-Cyano-3-methyl-1-(p-toluenesulfonylexy)pyrrole 3-Methyl-1-{[(4-methylphenyl)sulfonyl]oxy}-1H-pyrrole-2-carbonitrile
Wiley ID 1279730