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1-(1-Cyclohexenyl)-2-(p-toluenesulfonyl)ethyne
SpectraBase Compound ID 6cEIOslWRxB
InChI InChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6H2,1H3
InChIKey LQEJUBFKZZZJSB-UHFFFAOYSA-N
Mol Weight 260.35 g/mol
Molecular Formula C15H16O2S
Exact Mass 260.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wzDaD3Zhzw
Name 1-(1-Cyclohexenyl)-2-(p-toluenesulfonyl)ethyne
CAS Registry Number 127381-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O2S
InChI InChI=1S/C15H16O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6H2,1H3
InChIKey LQEJUBFKZZZJSB-UHFFFAOYSA-N
Molecular Weight 260.351 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)#CC1=CCCCC1
SPLASH splash10-06rl-4950000000-696016746d772383e878
Source of Spectrum J-55-4601-32
Synonyms 1-cyclohexen-1-ylethynyl 4-methylphenyl sulfone 1-[(1-cyclohexen-1-ylethynyl)sulfonyl]-4-methylbenzene
Wiley ID 1263730