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1-(1-besylpyrrol-3-yl)-3-methyl-4-nitro-butan-1-one
SpectraBase Compound ID 9D7RNQpFTO9
InChI InChI=1S/C15H16N2O5S/c1-12(10-17(19)20)9-15(18)13-7-8-16(11-13)23(21,22)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
InChIKey FUAYNKBZUCLYBQ-UHFFFAOYSA-N
Mol Weight 336.36 g/mol
Molecular Formula C15H16N2O5S
Exact Mass 336.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnWg7pKX4MT
Name 1-(1-besylpyrrol-3-yl)-3-methyl-4-nitro-butan-1-one
Alternate Name(s) 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-methyl-4-nitro-1-butanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-methyl-4-nitro-butan-1-one 3-Methyl-4-nitro-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O5S
InChI InChI=1S/C15H16N2O5S/c1-12(10-17(19)20)9-15(18)13-7-8-16(11-13)23(21,22)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3
InChIKey FUAYNKBZUCLYBQ-UHFFFAOYSA-N
Molecular Weight 336.362 g/mol
SMILES c1[n](ccc1C(CC(CN(=O)=O)C)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-0036-9573000000-2b1289d8bcb8e1101165
Source of Spectrum E1-43-43-15
Wiley ID 1552874