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1-{4-[(4-tert-Butylphenyl)ethynyl]benzenesulfonyl}-2-(dec-1-ynyl)benzene
SpectraBase Compound ID 8SApI2YEe0W
InChI InChI=1S/C34H38O2S/c1-5-6-7-8-9-10-11-12-15-28-21-26-32(27-22-28)37(35,36)33-17-14-13-16-30(33)23-18-29-19-24-31(25-20-29)34(2,3)4/h13-14,16-17,19-22,24-27H,5-11H2,1-4H3
InChIKey IREWRUCPCHCVFI-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C34H38O2S
Exact Mass 510.259252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hmVhiuJXt2
Name 1-{4-[(4-tert-Butylphenyl)ethynyl]benzenesulfonyl}-2-(dec-1-ynyl)benzene
Alternate Name(s) 1-((4-(tert-butyl)phenyl)ethynyl)-2-((4-(dec-1-yn-1-yl)phenyl)sulfonyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38O2S
InChI InChI=1S/C34H38O2S/c1-5-6-7-8-9-10-11-12-15-28-21-26-32(27-22-28)37(35,36)33-17-14-13-16-30(33)23-18-29-19-24-31(25-20-29)34(2,3)4/h13-14,16-17,19-22,24-27H,5-11H2,1-4H3
InChIKey IREWRUCPCHCVFI-UHFFFAOYSA-N
Molecular Weight 510.736 g/mol
SMILES c1(c(cccc1)S(c1ccc(cc1)C#CCCCCCCCC)(=O)=O)C#Cc1ccc(cc1)C(C)(C)C
SPLASH splash10-0002-0309220000-46e0fd58cce52d91561b
Source of Spectrum CCC-4-356/SM14-10c
Wiley ID 1788868