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3-Iodo-4-(4-tolyl-sulfonyl)-pentan-2-one
SpectraBase Compound ID 6DqBiOCJoIh
InChI InChI=1S/C12H15IO3S/c1-8-4-6-11(7-5-8)17(15,16)10(3)12(13)9(2)14/h4-7,10,12H,1-3H3
InChIKey BWEIOSSCTYZPGT-UHFFFAOYSA-N
Mol Weight 366.21 g/mol
Molecular Formula C12H15IO3S
Exact Mass 365.978661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLFTMvqlXot
Name 2-Pentanone, 3-iodo-4-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 117659-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15IO3S
InChI InChI=1S/C12H15IO3S/c1-8-4-6-11(7-5-8)17(15,16)10(3)12(13)9(2)14/h4-7,10,12H,1-3H3
InChIKey BWEIOSSCTYZPGT-UHFFFAOYSA-N
Molecular Weight 366.213 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(C(=O)C)I)C
SPLASH splash10-00kf-9320000000-5bf9bd783eff17da6161
Source of Spectrum KC-1988-1031-2
Synonyms 3-iodo-4-(p-tolylsulphonyl)pentan-2-one 3-iodo-4-[(4-methylphenyl)sulfonyl]-2-pentanone
Wiley ID 1351601