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3,3-Dimethyl-5-phenyl-cyclohex-5-ene-1,2,4-trione
SpectraBase Compound ID Ck31mPHO4AP
InChI InChI=1S/C14H12O3/c1-14(2)12(16)10(8-11(15)13(14)17)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BBVSUNSCOVPDTH-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGKv95xfcUV
Name 3,3-Dimethyl-5-phenyl-cyclohex-5-ene-1,2,4-trione
CAS Registry Number 108946-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-14(2)12(16)10(8-11(15)13(14)17)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BBVSUNSCOVPDTH-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES C1(C(C(c2ccccc2)=CC(C1=O)=O)=O)(C)C
SPLASH splash10-0udi-0930000000-fbd6f80854f6c830f5ff
Source of Spectrum K-120-1147-5
Wiley ID 1229924