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3-Methoxy-1-(3-bromo-propyl)-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
SpectraBase Compound ID 9PsqMOmYKee
InChI InChI=1S/C12H15BrO4/c1-16-10-8-12(5-3-7-13,11(15)17-2)6-4-9(10)14/h4,6,8H,3,5,7H2,1-2H3
InChIKey CWBLCVZRGNUOAD-UHFFFAOYSA-N
Mol Weight 303.15 g/mol
Molecular Formula C12H15BrO4
Exact Mass 302.015372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jqJMEusuxX
Name 3-Methoxy-1-(3-bromo-propyl)-cyclohexa-2,5-dien-4-one-1-carboxylic acid, methyl ester
CAS Registry Number 103669-14-3
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H15BrO4
InChI InChI=1S/C12H15BrO4/c1-16-10-8-12(5-3-7-13,11(15)17-2)6-4-9(10)14/h4,6,8H,3,5,7H2,1-2H3
InChIKey CWBLCVZRGNUOAD-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