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(1R,3R,4S)-4-Bromo-3-hydroxy-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID 8nDgXEqwRmd
InChI InChI=1S/C8H13BrO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,10H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKey SQOUCOUCDZRJKH-DSYKOEDSSA-N
Mol Weight 237.09 g/mol
Molecular Formula C8H13BrO3
Exact Mass 236.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkToVgnYdJl
Name (1R,3R,4S)-4-Bromo-3-hydroxy-cyclohexanecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C8H13BrO3
InChI InChI=1S/C8H13BrO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,10H,2-4H2,1H3/t5-,6+,7-/m1/s1
InChIKey SQOUCOUCDZRJKH-DSYKOEDSSA-N
Molecular Weight 237.093 g/mol
SMILES O[C@@]1(C[C@](C(=O)OC)(CC[C@@]1(Br)[H])[H])[H]
SPLASH splash10-0002-9010000000-222ff3cba30f53a748e9
Source of Spectrum KC-0-850-16
Synonyms (1R,3R,4S)-4-bromo-3-hydroxy-1-cyclohexanecarboxylic acid methyl ester methyl (1R,3R,4S)-4-bromo-3-hydroxycyclohexane-1-carboxylate methyl (1R,3R,4S)-4-bromo-3-hydroxy-cyclohexanecarboxylate
Wiley ID 780932