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5(E)-[(4-Acetylphenyl)methylidene]tetrahydrofuran-2-one
SpectraBase Compound ID 1rxqogh3fBc
InChI InChI=1S/C13H12O3/c1-9(14)11-4-2-10(3-5-11)8-12-6-7-13(15)16-12/h2-5,8H,6-7H2,1H3/b12-8+
InChIKey HIJGFOIBAWVWLL-XYOKQWHBSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvgWHGNPEo9
Name 5(E)-[(4-Acetylphenyl)methylidene]tetrahydrofuran-2-one
Alternate Name(s) (5E)-5-(4-acetylbenzylidene)dihydro-2(3H)-furanone
CAS Registry Number 137742-28-0
Comments Less than 3 mono-isotopic peaks
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Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-9(14)11-4-2-10(3-5-11)8-12-6-7-13(15)16-12/h2-5,8H,6-7H2,1H3/b12-8+
InChIKey HIJGFOIBAWVWLL-XYOKQWHBSA-N
Molecular Weight 216.236 g/mol
SMILES c1(\C=C\2OC(CC2)=O)ccc(C(=O)C)cc1
SPLASH splash10-0udi-0090000000-e471633f50d07b9c0414
Source of Spectrum J-57-980-6
Wiley ID 1215723