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1H-benzo[e]isobenzofuran-3-one
SpectraBase Compound ID CFrXyLi1SA8
InChI InChI=1S/C12H8O2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h1-6H,7H2
InChIKey XFEIBWHNFQLPAF-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C12H8O2
Exact Mass 184.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5HK3auXgi0
Name 1H-benzo[e]isobenzofuran-3-one
CAS Registry Number 4781-04-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H8O2
InChI InChI=1S/C12H8O2/c13-12-10-6-5-8-3-1-2-4-9(8)11(10)7-14-12/h1-6H,7H2
InChIKey XFEIBWHNFQLPAF-UHFFFAOYSA-N
Molecular Weight 184.194 g/mol
SMILES c12c(C(=O)OC2)ccc2c1cccc2
SPLASH splash10-0a4i-0900000000-14e0c7d17c94e4d3a883
Source of Spectrum B-43-1145-3
Synonyms 1H-benzo[e][2]benzofuran-3-one 1H-benz[e]isobenzofuran-3-one
Wiley ID 1181160