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(2E)-2-benzal-4,4-dimethyl-cyclopentanone
SpectraBase Compound ID 9DOhjSnrPjH
InChI InChI=1S/C14H16O/c1-14(2)9-12(13(15)10-14)8-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/b12-8+
InChIKey VGFWSVXQRPSLIW-XYOKQWHBSA-N
Mol Weight 200.28 g/mol
Molecular Formula C14H16O
Exact Mass 200.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9or1nE61YLO
Name (2E)-2-benzal-4,4-dimethyl-cyclopentanone
Alternate Name(s) (2E)-2-benzylidene-4,4-dimethyl-cyclopentanone (2E)-2-benzylidene-4,4-dimethylcyclopentan-1-one (2E)-4,4-dimethyl-2-(phenylmethylene)-1-cyclopentanone (2E)-4,4-dimethyl-2-(phenylmethylidene)cyclopentan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O
InChI InChI=1S/C14H16O/c1-14(2)9-12(13(15)10-14)8-11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3/b12-8+
InChIKey VGFWSVXQRPSLIW-XYOKQWHBSA-N
Molecular Weight 200.281 g/mol
SMILES C1(\C(CC(C1)(C)C)=C\c1ccccc1)=O
SPLASH splash10-014i-0940000000-03492fd86761bd7a9f01
Source of Spectrum KC-1992-3340-0
Wiley ID 777597