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cis-(+-)-1-(p-Tolylsulfinyl)-1-hepten-6-yne
SpectraBase Compound ID 9xE9R3voEHi
InChI InChI=1S/C14H16OS/c1-3-4-5-6-7-12-16(15)14-10-8-13(2)9-11-14/h1,7-12H,4-6H2,2H3/b12-7+
InChIKey BMSYZIAXAYLFAR-KPKJPENVSA-N
Mol Weight 232.34 g/mol
Molecular Formula C14H16OS
Exact Mass 232.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqocIPTqrRJ
Name cis-(+-)-1-(p-Tolylsulfinyl)-1-hepten-6-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16OS
InChI InChI=1S/C14H16OS/c1-3-4-5-6-7-12-16(15)14-10-8-13(2)9-11-14/h1,7-12H,4-6H2,2H3/b12-7+
InChIKey BMSYZIAXAYLFAR-KPKJPENVSA-N
Molecular Weight 232.341 g/mol
SMILES c1(S(\C=C\CCCC#C)=O)ccc(cc1)C
SPLASH splash10-00kf-9740000000-ac2ae5ebb3e08fa68931
Source of Spectrum SO-0-1892-2
Synonyms trans-(+-)-1-(p-Tolylsulfinyl)-1-hepten-6-yne (1E)-1-hepten-6-ynyl 4-methylphenyl sulfoxide 1-[(1E)-1-hepten-6-ynylsulfinyl]-4-methylbenzene
Wiley ID 878676