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3-Methoxy-1,3,4,5-tetrahydro-2-benzoxepin
SpectraBase Compound ID 6pah5syNunf
InChI InChI=1S/C11H14O2/c1-12-11-7-6-9-4-2-3-5-10(9)8-13-11/h2-5,11H,6-8H2,1H3
InChIKey MFUNRZCIEKSKQD-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyPNODfPv2m
Name 3-Methoxy-1,3,4,5-tetrahydro-2-benzoxepin
CAS Registry Number 87751-23-3
Comments CONFORMER CA (50%)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-12-11-7-6-9-4-2-3-5-10(9)8-13-11/h2-5,11H,6-8H2,1H3
InChIKey MFUNRZCIEKSKQD-UHFFFAOYSA-N
Instrument Name Bruker WH-400
Literature Reference S. Desilets, M. St. Jacques, J. Am. Chem. Soc. 109, 1641 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl2F