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2-Hept-1-ynyl-1-[4-(hept-1-ynyl)benzenesulfonyl]benzene
SpectraBase Compound ID ACheYEaTW3V
InChI InChI=1S/C26H30O2S/c1-3-5-7-9-11-15-23-19-21-25(22-20-23)29(27,28)26-18-14-13-17-24(26)16-12-10-8-6-4-2/h13-14,17-22H,3-10H2,1-2H3
InChIKey PKULEPIFGATQEF-UHFFFAOYSA-N
Mol Weight 406.58 g/mol
Molecular Formula C26H30O2S
Exact Mass 406.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RjqhpZO8fy
Name 2-Hept-1-ynyl-1-[4-(hept-1-ynyl)benzenesulfonyl]benzene
Alternate Name(s) 1-(hept-1-yn-1-yl)-2-((4-(hept-1-yn-1-yl)phenyl)sulfonyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O2S
InChI InChI=1S/C26H30O2S/c1-3-5-7-9-11-15-23-19-21-25(22-20-23)29(27,28)26-18-14-13-17-24(26)16-12-10-8-6-4-2/h13-14,17-22H,3-10H2,1-2H3
InChIKey PKULEPIFGATQEF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cctc.201100257
Molecular Weight 406.584 g/mol
SMILES c1(c(cccc1)C#CCCCCC)S(=O)(=O)c1ccc(cc1)C#CCCCCC
SPLASH splash10-014i-0398000000-d03607c870880daecae1
Source of Spectrum CCC-4-356/SM10-8d
Wiley ID 1788887