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4-Chloro-4-cyano-2-methyl-3-phenylcyclobutenone
SpectraBase Compound ID 33X2kKTmFnS
InChI InChI=1S/C12H8ClNO/c1-8-10(9-5-3-2-4-6-9)12(13,7-14)11(8)15/h2-6H,1H3
InChIKey OIMAAYYTEHGOAZ-UHFFFAOYSA-N
Mol Weight 217.65 g/mol
Molecular Formula C12H8ClNO
Exact Mass 217.029442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6egIXZJO42T
Name 4-Chloro-4-cyano-2-methyl-3-phenylcyclobutenone
CAS Registry Number 97315-63-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClNO
InChI InChI=1S/C12H8ClNO/c1-8-10(9-5-3-2-4-6-9)12(13,7-14)11(8)15/h2-6H,1H3
InChIKey OIMAAYYTEHGOAZ-UHFFFAOYSA-N
Molecular Weight 217.655 g/mol
SMILES C1(C(c2ccccc2)=C(C1=O)C)(C#N)Cl
SPLASH splash10-0ufr-1910000000-9c347453b37671e0f2e8
Source of Spectrum J-50-3227-4
Synonyms 1-Chloro-3-methyl-4-oxo-2-phenyl-2-cyclobutene-1-carbonitrile 1-Chloro-3-methyl-4-oxo-2-phenyl-1-cyclobut-2-enecarbonitrile 1-Chloro-3-methyl-4-oxo-2-phenylcyclobut-2-ene-1-carbonitrile 1-Chloro-3-methyl-4-oxo-2-phenyl-cyclobut-2-ene-1-carbonitrile 1-Chloranyl-3-methyl-4-oxidanylidene-2-phenyl-cyclobut-2-ene-1-carbonitrile
Wiley ID 1216493