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4-Methyl-7-(3-methylpent-1-yn-3-yloxy)-1-benzopyran-2-one
SpectraBase Compound ID TjOgSckgf2
InChI InChI=1S/C16H16O3/c1-5-16(4,6-2)19-12-7-8-13-11(3)9-15(17)18-14(13)10-12/h1,7-10H,6H2,2-4H3
InChIKey NHCWBRJWNMJREM-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bURoPgZDLO
Name 4-Methyl-7-(3-methylpent-1-yn-3-yloxy)-1-benzopyran-2-one
Alternate Name(s) 4-Methyl-7-(3-methylpent-1-yn-3-yloxy)chromen-2-one 7-(1-Ethyl-1-methyl-prop-2-ynoxy)-4-methyl-chromen-2-one 7-(1-Ethyl-1-methyl-prop-2-ynoxy)-4-methyl-coumarin
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Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-5-16(4,6-2)19-12-7-8-13-11(3)9-15(17)18-14(13)10-12/h1,7-10H,6H2,2-4H3
InChIKey NHCWBRJWNMJREM-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES c12OC(=O)C=C(c2ccc(c1)OC(C#C)(CC)C)C
SPLASH splash10-004i-0910000000-64513373c2e0b2278c47
Source of Spectrum MZ-34-4511-1
Wiley ID 1582781