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{8-[Chlorp(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4,5]dec-8-yl}acetonitrile
SpectraBase Compound ID G35SPeUHfTt
InChI InChI=1S/C18H22ClNO3S/c1-14-2-4-15(5-3-14)24(21)16(19)17(10-11-20)6-8-18(9-7-17)22-12-13-23-18/h2-5,16H,6-10,12-13H2,1H3
InChIKey DXMJEHIPMJRCMB-UHFFFAOYSA-N
Mol Weight 367.89 g/mol
Molecular Formula C18H22ClNO3S
Exact Mass 367.100892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHYqfl9uOeI
Name {8-[Chlorp(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4,5]dec-8-yl}acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22ClNO3S
InChI InChI=1S/C18H22ClNO3S/c1-14-2-4-15(5-3-14)24(21)16(19)17(10-11-20)6-8-18(9-7-17)22-12-13-23-18/h2-5,16H,6-10,12-13H2,1H3
InChIKey DXMJEHIPMJRCMB-UHFFFAOYSA-N
Molecular Weight 367.891 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(CCC2(CC1)OCCO2)CC#N)Cl
SPLASH splash10-0037-0940000000-960b9a3424c42b658c1c
Source of Spectrum KC-61-1251-5
Synonyms 1-[Chloro-(p-tolylsulfinyl)methyl]-1-cyanomethyl-4,4-ethylenedioxycyclohexane isomer 2-[8-[chloranyl-(4-methylphenyl)sulfinyl-methyl]-1,4-dioxaspiro[4.5]decan-8-yl]ethanenitrile {8-[Chloro-(toluene-4-sulfinyl)-methyl]-1,4-dioxa-spiro[4.5]dec-8-yl}-acetonitrile 2-[8-[chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decan-8-yl]acetonitrile 2-[8-[chloro-(4-methylphenyl)sulfinylmethyl]-1,4-dioxaspiro[4.5]decan-8-yl]acetonitrile
Wiley ID 1627454