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2-Butyn-1-one, 1-(2-methylphenyl)-
SpectraBase Compound ID 47EtmChr2Id
InChI InChI=1S/C11H10O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,1-2H3
InChIKey MBQKZFKXGAJYQK-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C11H10O
Exact Mass 158.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OLrzHL2ttt
Name 2-Butyn-1-one, 1-(2-methylphenyl)-
CAS Registry Number 94405-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O
InChI InChI=1S/C11H10O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,1-2H3
InChIKey MBQKZFKXGAJYQK-UHFFFAOYSA-N
Molecular Weight 158.200 g/mol
SMILES C(C(c1c(C)cccc1)=O)#CC
SPLASH splash10-00or-4900000000-66bfa183c15276016630
Source of Spectrum H-69-576-31
Synonyms 1-(2-Methylphenyl)-2-butyn-1-one
Wiley ID 1155867