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8-[Chloro(p-tolylsulfinyl)methyl]-8-(p-tolylethynyl)-1,4-dioxaspiro[4,5]decane
SpectraBase Compound ID Hh8n1hu49aW
InChI InChI=1S/C25H27ClO3S/c1-19-3-7-21(8-4-19)11-12-24(13-15-25(16-14-24)28-17-18-29-25)23(26)30(27)22-9-5-20(2)6-10-22/h3-10,23H,13-18H2,1-2H3
InChIKey BGTXZWQVQGDBAR-UHFFFAOYSA-N
Mol Weight 443.0 g/mol
Molecular Formula C25H27ClO3S
Exact Mass 442.136944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dniqM9rb9W
Name 8-[Chloro(p-tolylsulfinyl)methyl]-8-(p-tolylethynyl)-1,4-dioxaspiro[4,5]decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27ClO3S
InChI InChI=1S/C25H27ClO3S/c1-19-3-7-21(8-4-19)11-12-24(13-15-25(16-14-24)28-17-18-29-25)23(26)30(27)22-9-5-20(2)6-10-22/h3-10,23H,13-18H2,1-2H3
InChIKey BGTXZWQVQGDBAR-UHFFFAOYSA-N
Molecular Weight 443.001 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(C#Cc2ccc(cc2)C)CCC2(CC1)OCCO2)Cl
SPLASH splash10-0ge9-2593000000-e846be9e323658ad8f0e
Source of Spectrum F-67-3087-19ap
Wiley ID 1686374