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1-(3-Bromo-propyl)-3-methoxy-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
SpectraBase Compound ID DiG4epgaGA8
InChI InChI=1S/C12H17BrO3/c1-15-10-5-3-6-12(9-10,7-4-8-13)11(14)16-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKey PKPGSQMSSFGWCJ-UHFFFAOYSA-N
Mol Weight 289.17 g/mol
Molecular Formula C12H17BrO3
Exact Mass 288.036107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0rDKumzFE9
Name 1-(3-Bromo-propyl)-3-methoxy-cyclohexa-2,5-diene-1-carboxylic acid, methyl ester
CAS Registry Number 89234-39-9
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17BrO3
InChI InChI=1S/C12H17BrO3/c1-15-10-5-3-6-12(9-10,7-4-8-13)11(14)16-2/h3,6,9H,4-5,7-8H2,1-2H3
InChIKey PKPGSQMSSFGWCJ-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