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1-(2-(3-Chlorophenyl)ethynyl)benzene
SpectraBase Compound ID 5fddKOj2CdK
InChI InChI=1S/C10H10OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-3H2,1H3
InChIKey IXVWUOCAEMKCFA-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C10H10OS
Exact Mass 178.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOSbouVL6Nh
Name 1-(2-(3-Chlorophenyl)ethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10OS
InChI InChI=1S/C10H10OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-3H2,1H3
InChIKey IXVWUOCAEMKCFA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol102993y
Molecular Weight 178.249 g/mol
SMILES C(#CCCC)C(=O)c1sccc1
SPLASH splash10-0fi0-0900000000-048df0bb5a49377f1759
Source of Spectrum A1-13-944/SMS9-3oc
Synonyms 1-(thiophen-2-yl)hex-2-yn-1-one
Wiley ID 1752759