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(2R,4S)-2-BROMO-4-METHYL-5-HEXENOIC ACID, METHYL ESTER
SpectraBase Compound ID 5x4cSbhiGjB
InChI InChI=1S/C8H13BrO2/c1-4-6(2)5-7(9)8(10)11-3/h4,6-7H,1,5H2,2-3H3
InChIKey JHTFKJBYJXGLHW-UHFFFAOYSA-N
Mol Weight 221.09 g/mol
Molecular Formula C8H13BrO2
Exact Mass 220.009893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DomhM1T1oEB
Name 2(S)-Bromo-4(S)-methyl-5-hexenoic acid, methyl ester
CAS Registry Number 80865-20-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H13BrO2
InChI InChI=1S/C8H13BrO2/c1-4-6(2)5-7(9)8(10)11-3/h4,6-7H,1,5H2,2-3H3
InChIKey JHTFKJBYJXGLHW-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference J.V. Duncia, P.T. Lansbury, T. Miller, J. Am. Chem. Soc. 104, 1930 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3