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2-Iodo-3-(4-tolyl-sulfonyl)-propionitrile

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2-Iodo-3-(4-tolyl-sulfonyl)-propionitrile
SpectraBase Compound ID Ifoc3I9oRBi
InChI InChI=1S/C10H10INO2S/c1-8-2-4-10(5-3-8)15(13,14)7-9(11)6-12/h2-5,9H,7H2,1H3
InChIKey NGIYEHFFCMTGFJ-UHFFFAOYSA-N
Mol Weight 335.16 g/mol
Molecular Formula C10H10INO2S
Exact Mass 334.947695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FMTlLuvoSN
Name 2-Iodo-3-(4-tolyl-sulfonyl)-propionitrile
CAS Registry Number 19520-58-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H10INO2S
InChI InChI=1S/C10H10INO2S/c1-8-2-4-10(5-3-8)15(13,14)7-9(11)6-12/h2-5,9H,7H2,1H3
InChIKey NGIYEHFFCMTGFJ-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