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3-Iodo-4-(4-tolyl-sulfonyl)-pentan-2-one

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgkwTpoXi2s
Name 3-Iodo-4-(4-tolyl-sulfonyl)-pentan-2-one
CAS Registry Number 117659-18-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian FT-80
Literature Reference C. Najera, B. Baldo, M.Yus, J. Chem. Soc. Perkin I 1029 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3