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

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1-(4-Bromo-butyl)-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
SpectraBase Compound ID 9RPBOYxunTR
InChI InChI=1S/C12H15BrO3/c1-16-11(15)12(6-2-3-9-13)7-4-10(14)5-8-12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey PUYDDENINSEGBW-UHFFFAOYSA-N
Mol Weight 287.15 g/mol
Molecular Formula C12H15BrO3
Exact Mass 286.020457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKKpJUvwjio
Name 1-(4-Bromo-butyl)-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
CAS Registry Number 103669-21-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15BrO3
InChI InChI=1S/C12H15BrO3/c1-16-11(15)12(6-2-3-9-13)7-4-10(14)5-8-12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey PUYDDENINSEGBW-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