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3-Methoxy-3-methyl-1,5-benzodioxepin

View entire compound with spectra: 25 NMR

3-Methoxy-3-methyl-1,5-benzodioxepin
SpectraBase Compound ID 2ffbFnV8JKL
InChI InChI=1S/C11H14O3/c1-11(12-2)7-13-9-5-3-4-6-10(9)14-8-11/h3-6H,7-8H2,1-2H3
InChIKey WKFBIDHTQIBUQR-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IH2opuOQPy
Name 3-Methoxy-3-methyl-1,5-benzodioxepin
CAS Registry Number 88657-42-5
Comments TWIST-BOAT CONFORMATION
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-11(12-2)7-13-9-5-3-4-6-10(9)14-8-11/h3-6H,7-8H2,1-2H3
InChIKey WKFBIDHTQIBUQR-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference D. Menard, M. St-Jacques, J. Am. Chem. Soc. 106, 2055 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl2F