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1-[4-(Hept-1-ynyl)benzenesulfonyl]-2-hex-1-ynyl-benzene
SpectraBase Compound ID Do3Fyx7eWLv
InChI InChI=1S/C25H28O2S/c1-3-5-7-9-10-14-22-18-20-24(21-19-22)28(26,27)25-17-13-12-16-23(25)15-11-8-6-4-2/h12-13,16-21H,3-9H2,1-2H3
InChIKey LJVSICNIZNTBQY-UHFFFAOYSA-N
Mol Weight 392.56 g/mol
Molecular Formula C25H28O2S
Exact Mass 392.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWznVQKkBSM
Name 1-[4-(Hept-1-ynyl)benzenesulfonyl]-2-hex-1-ynyl-benzene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O2S
InChI InChI=1S/C25H28O2S/c1-3-5-7-9-10-14-22-18-20-24(21-19-22)28(26,27)25-17-13-12-16-23(25)15-11-8-6-4-2/h12-13,16-21H,3-9H2,1-2H3
InChIKey LJVSICNIZNTBQY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100257
Molecular Weight 392.557 g/mol
SMILES c1(c(cccc1)C#CCCCC)S(=O)(=O)c1ccc(cc1)C#CCCCCC
SPLASH splash10-0006-0019000000-c1ec4bebc8e8c600e8fe
Source of Spectrum CCC-4-361-10a
Synonyms 1-((4-(hept-1-yn-1-yl)phenyl)sulfonyl)-2-(hex-1-yn-1-yl)benzene
Wiley ID 1788861