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1-(3-Bromo-propyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester

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1-(3-Bromo-propyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID KKbX3yb1zdz
InChI InChI=1S/C11H15BrO2/c1-14-10(13)11(8-5-9-12)6-3-2-4-7-11/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey OFBMELZVRJHMKV-UHFFFAOYSA-N
Mol Weight 259.14 g/mol
Molecular Formula C11H15BrO2
Exact Mass 258.025543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpJOdaNkFRk
Name 1-(3-Bromo-propyl)-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 89215-27-0
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C11H15BrO2
InChI InChI=1S/C11H15BrO2/c1-14-10(13)11(8-5-9-12)6-3-2-4-7-11/h3-4,6-7H,2,5,8-9H2,1H3
InChIKey OFBMELZVRJHMKV-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