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(E)-1-(4-ethyl-2,3,4,5-tetrahydrooxepin-7-yl)-2-buten-1-one
SpectraBase Compound ID 89kJP1RzVUx
InChI InChI=1S/C12H18O2/c1-3-5-11(13)12-7-6-10(4-2)8-9-14-12/h3,5,7,10H,4,6,8-9H2,1-2H3/b5-3+
InChIKey CPZSSLFYJABSHZ-HWKANZROSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8oYSlV1rEF
Name (E)-1-(4-ethyl-2,3,4,5-tetrahydrooxepin-7-yl)-2-buten-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-3-5-11(13)12-7-6-10(4-2)8-9-14-12/h3,5,7,10H,4,6,8-9H2,1-2H3/b5-3+
InChIKey CPZSSLFYJABSHZ-HWKANZROSA-N
Molecular Weight 194.274 g/mol
SMILES C1(=CCC(CC)CCO1)C(\C=C\C)=O
SPLASH splash10-014i-9100000000-3250da1009fcb1d80d56
Source of Spectrum F-68-9740-76
Synonyms (E)-1-(4-ethyl-2,3,4,5-tetrahydrooxepin-7-yl)but-2-en-1-one
Wiley ID 1573980