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METHYL-(2E,4R*,5S*)-5-BROMO-4-HYDROXY-2-METHYL-2-HEXENOATE
SpectraBase Compound ID 2YvY4kdRfx1
InChI InChI=1S/C8H13BrO3/c1-5(8(11)12-3)4-7(10)6(2)9/h4,6-7,10H,1-3H3/b5-4+/t6-,7+/m1/s1
InChIKey HPRQAKATQHBRMN-ZVCMNORXSA-N
Mol Weight 237.09 g/mol
Molecular Formula C8H13BrO3
Exact Mass 236.004807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRcTdl3MVft
Name METHYL-(2E,4R*,5S*)-5-BROMO-4-HYDROXY-2-METHYL-2-HEXENOATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13BrO3
InChI InChI=1S/C8H13BrO3/c1-5(8(11)12-3)4-7(10)6(2)9/h4,6-7,10H,1-3H3/b5-4+/t6-,7+/m1/s1
InChIKey HPRQAKATQHBRMN-ZVCMNORXSA-N
Literature Reference Author M.CERONI,U.SEQUIN
Literature Reference Citation HELV.CHIM.ACTA,65,302(1982)
Literature Reference DOI 10.1002/hlca.19820650133
Molecular Weight 237.093 g/mol
Solvent CDCl3
Source File Reference UWCS9894