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1-(4-Bromo-butyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester

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1-(4-Bromo-butyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID 1KigHJBGRUE
InChI InChI=1S/C12H17BrO2/c1-15-11(14)12(9-5-6-10-13)7-3-2-4-8-12/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey RPLFCWMXRJERMU-UHFFFAOYSA-N
Mol Weight 273.17 g/mol
Molecular Formula C12H17BrO2
Exact Mass 272.041193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yzP8t6sFrN
Name 1-(4-Bromo-butyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 103669-20-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17BrO2
InChI InChI=1S/C12H17BrO2/c1-15-11(14)12(9-5-6-10-13)7-3-2-4-8-12/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey RPLFCWMXRJERMU-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