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1-(3-Bromo-propyl)-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
SpectraBase Compound ID IHgQk9zdibx
InChI InChI=1S/C11H13BrO3/c1-15-10(14)11(5-2-8-12)6-3-9(13)4-7-11/h3-4,6-7H,2,5,8H2,1H3
InChIKey LRQUSNCQJNXJGZ-UHFFFAOYSA-N
Mol Weight 273.13 g/mol
Molecular Formula C11H13BrO3
Exact Mass 272.004807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAeotITYPGc
Name 1-(3-Bromo-propyl)-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
CAS Registry Number 103669-12-1
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H13BrO3
InChI InChI=1S/C11H13BrO3/c1-15-10(14)11(5-2-8-12)6-3-9(13)4-7-11/h3-4,6-7H,2,5,8H2,1H3
InChIKey LRQUSNCQJNXJGZ-UHFFFAOYSA-N
Instrument Name Jeol FX-200
Literature Reference A.L. Beckwith, D.H. Roberts, J. Am. Chem. Soc. 108, 5893 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3