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 Google Search
Mol Weight	345.89 g/mol
Molecular Formula	C19H20ClNOS
Exact Mass	345.095413 g/mol

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SpectraBase Spectrum ID	4hk2Uc2DFQ
Name	3-[Chloro(p-tolylsulfinyl)methyl]-5-phenylpentanenitrile
Copyright	Copyright © 2020-2025 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(CC(CCc1ccccc1)C(S(=O)c1ccc(cc1)C)Cl)#N
SPLASH	splash10-0006-9700000000-7a85b40f159913564917
Source of Spectrum	F-56-5119-33
Synonyms	3-[Chloro-(p-tolylsulfinyl)methyl]-5-phenylvaleronitrile 3-{chloro[(4-methylphenyl)sulfinyl]methyl}-5-phenylpentanenitrile
Wiley ID	857684