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(E)-4-(2,2-Dimethyl-2H-chromen-3-yl)but-3-en-2-one
SpectraBase Compound ID LsiFDxDD0AE
InChI InChI=1S/C15H16O2/c1-11(16)8-9-13-10-12-6-4-5-7-14(12)17-15(13,2)3/h4-10H,1-3H3/b9-8+
InChIKey DAWAKTHZULKRPA-CMDGGOBGSA-N
Mol Weight 228.29 g/mol
Molecular Formula C15H16O2
Exact Mass 228.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9loL3ASMRp7
Name (E)-4-(2,2-Dimethyl-2H-chromen-3-yl)but-3-en-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H16O2
InChI InChI=1S/C15H16O2/c1-11(16)8-9-13-10-12-6-4-5-7-14(12)17-15(13,2)3/h4-10H,1-3H3/b9-8+
InChIKey DAWAKTHZULKRPA-CMDGGOBGSA-N
Molecular Weight 228.291 g/mol
SMILES CC(\C=C\C=1C(Oc2c(C1)cccc2)(C)C)=O
SPLASH splash10-03di-0090000000-da701e8abe67a9297d7c
Source of Spectrum G2-2002-1894-13
Synonyms (3E)-4-(2,2-dimethyl-2H-chromen-3-yl)-3-buten-2-one
Wiley ID 1617825