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3-Methyl-1,5-benzodioxepin

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3-Methyl-1,5-benzodioxepin
SpectraBase Compound ID Co2TGUVlhBU
InChI InChI=1S/C10H12O2/c1-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8H,6-7H2,1H3
InChIKey LSZMXZKYYCESMC-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mZwxTl8YzT
Name 3-Methyl-1,5-benzodioxepin
CAS Registry Number 88657-40-3
Comments TWIST-BOAT CONFORMATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8H,6-7H2,1H3
InChIKey LSZMXZKYYCESMC-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