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5-(2'-Methylphenyl)-pent-2-yne
SpectraBase Compound ID 3W5H1LV8VHL
InChI InChI=1S/C12H14/c1-3-4-5-9-12-10-7-6-8-11(12)2/h6-8,10H,5,9H2,1-2H3
InChIKey NHBJCKPKPRMIBR-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqcJqommDJh
Name 5-(2'-Methylphenyl)-pent-2-yne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-3-4-5-9-12-10-7-6-8-11(12)2/h6-8,10H,5,9H2,1-2H3
InChIKey NHBJCKPKPRMIBR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19730560214
Molecular Weight 158.244 g/mol
SMILES c1cccc(c1CCC#CC)C
SPLASH splash10-0a4i-1900000000-7eeb48e628601ace5bea
Source of Spectrum H-56-700-10
Synonyms 1-Methyl-2-(pent-3-yn-1-yl)benzene
Wiley ID 1801383