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2,5-Cyclohexadien-1-one, 4-(benzoyloxy)-4-methyl-
SpectraBase Compound ID 9NhZ6DBUIrx
InChI InChI=1S/C14H12O3/c1-14(9-7-12(15)8-10-14)17-13(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey NPZLUHKYOLFMRT-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 IiM2xBsZTnV
Name 2,5-Cyclohexadien-1-one, 4-(benzoyloxy)-4-methyl-
CAS Registry Number 92254-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-14(9-7-12(15)8-10-14)17-13(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey NPZLUHKYOLFMRT-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES C(OC1(C=CC(C=C1)=O)C)(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-f8d4a0f6a86d1545574b
Source of Spectrum J-55-6316-6
Synonyms 2,5-Cyclohexadien-1-one, 4-hydroxy-4-methyl-, benzoate 1-Methyl-4-oxo-2,5-cyclohexadien-1-yl benzoate
Wiley ID 1229933