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1-[Chloro(p-tolylsulfinyl)methyl]-1-phenylethynylcyclopentadecane
SpectraBase Compound ID th5J2hw75P
InChI InChI=1S/C31H41ClOS/c1-27-19-21-29(22-20-27)34(33)30(32)31(26-23-28-17-13-12-14-18-28)24-15-10-8-6-4-2-3-5-7-9-11-16-25-31/h12-14,17-22,30H,2-11,15-16,24-25H2,1H3
InChIKey FPGRKCYSHAZOIO-UHFFFAOYSA-N
Mol Weight 497.2 g/mol
Molecular Formula C31H41ClOS
Exact Mass 496.256665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKvIm4EK5el
Name 1-[Chloro(p-tolylsulfinyl)methyl]-1-phenylethynylcyclopentadecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H41ClOS
InChI InChI=1S/C31H41ClOS/c1-27-19-21-29(22-20-27)34(33)30(32)31(26-23-28-17-13-12-14-18-28)24-15-10-8-6-4-2-3-5-7-9-11-16-25-31/h12-14,17-22,30H,2-11,15-16,24-25H2,1H3
InChIKey FPGRKCYSHAZOIO-UHFFFAOYSA-N
Molecular Weight 497.181 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(C#Cc2ccccc2)CCCCCCCCCCCCCC1)Cl
SPLASH splash10-006x-5609000000-4f7e6dfcfdfe2866467e
Source of Spectrum F-67-3087-17cl
Wiley ID 1686380