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1-(3-Bromo-propyl)-3,5-dimethoxy-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID GhC7kIklw3j
InChI InChI=1S/C13H19BrO4/c1-16-10-7-11(17-2)9-13(8-10,5-4-6-14)12(15)18-3/h8-9H,4-7H2,1-3H3
InChIKey BXJLVOXFTNTSEK-UHFFFAOYSA-N
Mol Weight 319.2 g/mol
Molecular Formula C13H19BrO4
Exact Mass 318.046672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TMzXoUgKSg
Name 1-(3-Bromo-propyl)-3,5-dimethoxy-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 103669-15-4
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H19BrO4
InChI InChI=1S/C13H19BrO4/c1-16-10-7-11(17-2)9-13(8-10,5-4-6-14)12(15)18-3/h8-9H,4-7H2,1-3H3
InChIKey BXJLVOXFTNTSEK-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