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3-Phenyl-3-cyclobutene-1,2-dione
SpectraBase Compound ID 4beFajvjVeE
InChI InChI=1S/C10H6O2/c11-9-6-8(10(9)12)7-4-2-1-3-5-7/h1-6H
InChIKey KLGVPAWHYZDGCX-UHFFFAOYSA-N
Mol Weight 158.16 g/mol
Molecular Formula C10H6O2
Exact Mass 158.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgxpfUi00Y6
Name 3-Phenyl-3-cyclobutene-1,2-dione
Alternate Name(s) 3-Cyclobutene-1,2-dione, 3-phenyl- 3-phenylcyclobut-3-ene-1,2-dione 3-phenylcyclobut-3-ene-1,2-quinone Cyclobutenedione, phenyl- Phenylcyclobutenedione EINECS 223-540-0
CAS Registry Number 3947-97-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6O2
InChI InChI=1S/C10H6O2/c11-9-6-8(10(9)12)7-4-2-1-3-5-7/h1-6H
InChIKey KLGVPAWHYZDGCX-UHFFFAOYSA-N
Molecular Weight 158.156 g/mol
SMILES C1(=CC(C1=O)=O)c1ccccc1
SPLASH splash10-0udi-0900000000-d93ef2a1c90259df2d1b
Source of Spectrum SK-25-2787-3
Wiley ID 866862