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8-[Chloro-(p-tolylsulfinyl)methyl]-8-phenylethynyl-1,4-dioxaspiro[4.5]decane
SpectraBase Compound ID AD477swHOJ9
InChI InChI=1S/C24H25ClO3S/c1-19-7-9-21(10-8-19)29(26)22(25)23(12-11-20-5-3-2-4-6-20)13-15-24(16-14-23)27-17-18-28-24/h2-10,22H,13-18H2,1H3
InChIKey KFWDKAPUGBQUPT-UHFFFAOYSA-N
Mol Weight 428.97 g/mol
Molecular Formula C24H25ClO3S
Exact Mass 428.121294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BC4Mn8DKoUO
Name 8-[Chloro-(p-tolylsulfinyl)methyl]-8-phenylethynyl-1,4-dioxaspiro[4.5]decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25ClO3S
InChI InChI=1S/C24H25ClO3S/c1-19-7-9-21(10-8-19)29(26)22(25)23(12-11-20-5-3-2-4-6-20)13-15-24(16-14-23)27-17-18-28-24/h2-10,22H,13-18H2,1H3
InChIKey KFWDKAPUGBQUPT-UHFFFAOYSA-N
Molecular Weight 428.974 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(C#Cc2ccccc2)CCC2(CC1)OCCO2)Cl
SPLASH splash10-0uy0-2690000000-1ffc8bb457d28b8f3eec
Source of Spectrum F-67-3086-13p
Wiley ID 1686381