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3-Oxabicyclo[5.4.0]undeca-7,9,11(1)-trien-4-one
SpectraBase Compound ID 52E9iTgSlZR
InChI InChI=1S/C10H10O2/c11-10-6-5-8-3-1-2-4-9(8)7-12-10/h1-4H,5-7H2
InChIKey XSIIDYBWYLEGIC-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iASKobojyL
Name 3-Oxabicyclo[5.4.0]undeca-7,9,11(1)-trien-4-one
Alternate Name(s) 4,5-Dihydro-2-benzoxepin-3(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O2
InChI InChI=1S/C10H10O2/c11-10-6-5-8-3-1-2-4-9(8)7-12-10/h1-4H,5-7H2
InChIKey XSIIDYBWYLEGIC-UHFFFAOYSA-N
Molecular Weight 162.188 g/mol
SMILES c12COC(CCc2cccc1)=O
SPLASH splash10-014i-1900000000-58672c688c7b0cbee91b
Source of Spectrum C5-2002-1688-8
Wiley ID 1617716