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5-[(Dimethylethoxy)carbonyl]-2-methoxycyclohepta-2,4,6-trien-1-one
SpectraBase Compound ID 1PTCoJSiV6E
InChI InChI=1S/C13H16O4/c1-13(2,3)17-12(15)9-5-7-10(14)11(16-4)8-6-9/h5-8H,1-4H3
InChIKey FUJMAUYUDDBHEU-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 193ur5Fy2Cy
Name 5-[(Dimethylethoxy)carbonyl]-2-methoxycyclohepta-2,4,6-trien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-13(2,3)17-12(15)9-5-7-10(14)11(16-4)8-6-9/h5-8H,1-4H3
InChIKey FUJMAUYUDDBHEU-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(C1=CC=C(OC)C(C=C1)=O)(OC(C)(C)C)=O
SPLASH splash10-0kar-1900000000-08f7a291bbfec2b9d125
Source of Spectrum F-50-9890-5
Synonyms tert-Butyl 4-methoxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylate
Wiley ID 1238146