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[(3E)-3-(phenylsulfanyl)-3-hepten-1-ynyl]benzene
SpectraBase Compound ID I5N0q3uV9sg
InChI InChI=1S/C19H18S/c1-2-3-12-19(20-18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h4-14H,2-3H2,1H3/b19-12+
InChIKey BUUGGUBOCMOORR-XDHOZWIPSA-N
Mol Weight 278.41 g/mol
Molecular Formula C19H18S
Exact Mass 278.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1etAMJt8IH
Name [(3E)-3-(phenylsulfanyl)-3-hepten-1-ynyl]benzene
Alternate Name(s) [(E)-1-(2-phenylethynyl)pent-1-enyl]sulfanylbenzene [(E)-1-phenylhept-3-en-1-yn-3-yl]sulfanylbenzene [[(E)-1-(2-phenylethynyl)pent-1-enyl]thio]benzene [[(E)-1-phenylhept-3-en-1-yn-3-yl]thio]benzene
CAS Registry Number 78839-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18S
InChI InChI=1S/C19H18S/c1-2-3-12-19(20-18-13-8-5-9-14-18)16-15-17-10-6-4-7-11-17/h4-14H,2-3H2,1H3/b19-12+
InChIKey BUUGGUBOCMOORR-XDHOZWIPSA-N
Molecular Weight 278.413 g/mol
SMILES C(#Cc1ccccc1)\C(Sc1ccccc1)=C/CCC
SPLASH splash10-004m-1390000000-cbc1c1b04ead5da1e620
Source of Spectrum AJ-57-112-0
Wiley ID 1282544