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3-[Chloro(p-tolylsulfinyl)methyl]-5-phenylpentanenitrile
SpectraBase Compound ID AO1NPXAMWrY
InChI InChI=1S/C19H20ClNOS/c1-15-7-11-18(12-8-15)23(22)19(20)17(13-14-21)10-9-16-5-3-2-4-6-16/h2-8,11-12,17,19H,9-10,13H2,1H3
InChIKey WXCGECWGKPUVSW-UHFFFAOYSA-N
Mol Weight 345.89 g/mol
Molecular Formula C19H20ClNOS
Exact Mass 345.095413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID htXeZ28jCY
Name 3-[Chloro(p-tolylsulfinyl)methyl]-5-phenylpentanenitrile
Alternate Name(s) 3-[Chloro-(p-tolylsulfinyl)methyl]-5-phenylvaleronitrile 3-{chloro[(4-methylphenyl)sulfinyl]methyl}-5-phenylpentanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClNOS
InChI InChI=1S/C19H20ClNOS/c1-15-7-11-18(12-8-15)23(22)19(20)17(13-14-21)10-9-16-5-3-2-4-6-16/h2-8,11-12,17,19H,9-10,13H2,1H3
InChIKey WXCGECWGKPUVSW-UHFFFAOYSA-N
Molecular Weight 345.888 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(CCc1ccccc1)CC#N)Cl
SPLASH splash10-0006-6900000000-a03124e9a3823e14862e
Source of Spectrum F-68-2490-26ep
Wiley ID 1708645