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(E)-1-(2,3,4,5-tetrahydrooxepin-7-yl)-2-buten-1-one
SpectraBase Compound ID 2rTEwdSa2Wj
InChI InChI=1S/C10H14O2/c1-2-6-9(11)10-7-4-3-5-8-12-10/h2,6-7H,3-5,8H2,1H3/b6-2+
InChIKey GSGQPWKGGISFRY-QHHAFSJGSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMfzP4FpLBX
Name (E)-1-(2,3,4,5-tetrahydrooxepin-7-yl)-2-buten-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-2-6-9(11)10-7-4-3-5-8-12-10/h2,6-7H,3-5,8H2,1H3/b6-2+
InChIKey GSGQPWKGGISFRY-QHHAFSJGSA-N
Molecular Weight 166.220 g/mol
SMILES C(\C=C\C)(=O)C=1OCCCCC1
SPLASH splash10-014i-9200000000-f726b485e35520a3020c
Source of Spectrum F-68-9737-39
Synonyms (E)-1-(2,3,4,5-tetrahydrooxepin-7-yl)but-2-en-1-one
Wiley ID 1573902