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4-[(1,1-Dimethylethoxy)carbonyl]cyclohepta-2,4,6-triene-1-one
SpectraBase Compound ID 7EAAq6i3C00
InChI InChI=1S/C12H14O3/c1-12(2,3)15-11(14)9-5-4-6-10(13)8-7-9/h4-8H,1-3H3
InChIKey RLHJGZRJQNRXAU-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16SQVh9shwF
Name 4-[(1,1-Dimethylethoxy)carbonyl]cyclohepta-2,4,6-triene-1-one
CAS Registry Number 136175-69-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-12(2,3)15-11(14)9-5-4-6-10(13)8-7-9/h4-8H,1-3H3
InChIKey RLHJGZRJQNRXAU-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES C(C=1C=CC(=O)C=CC1)(OC(C)(C)C)=O
SPLASH splash10-0pb9-1920000000-274e2d93c2b5f345b561
Source of Spectrum J-56-6446-5
Synonyms tert-Butyl 5-oxo-1,3,6-cycloheptatriene-1-carboxylate
Wiley ID 1204458