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2-Iodo-4-tosylbutanenitrile
SpectraBase Compound ID LkbjezS94uz
InChI InChI=1S/C11H12INO2S/c1-9-2-4-11(5-3-9)16(14,15)7-6-10(12)8-13/h2-5,10H,6-7H2,1H3
InChIKey PPMITKZILYTKCF-UHFFFAOYSA-N
Mol Weight 349.19 g/mol
Molecular Formula C11H12INO2S
Exact Mass 348.963345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKKOW5viQ7i
Name 2-Iodo-4-tosylbutanenitrile
Alternate Name(s) 2-iodo-4-[(4-methylphenyl)sulfonyl]butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12INO2S
InChI InChI=1S/C11H12INO2S/c1-9-2-4-11(5-3-9)16(14,15)7-6-10(12)8-13/h2-5,10H,6-7H2,1H3
InChIKey PPMITKZILYTKCF-UHFFFAOYSA-N
Molecular Weight 349.186 g/mol
SMILES c1(S(CCC(C#N)I)(=O)=O)ccc(cc1)C
SPLASH splash10-0a4l-8910000000-aaae05e7534512584088
Source of Spectrum KC-20-1999-9
Wiley ID 821610