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5-Hexenoic acid, 3-hydroxy-2,4,5-trimethyl-, methyl ester, [2R-(2R*,3S*,4R*)]-
SpectraBase Compound ID ATFlFQHdG1f
InChI InChI=1S/C10H18O3/c1-6(2)7(3)9(11)8(4)10(12)13-5/h7-9,11H,1H2,2-5H3/t7-,8-,9+/m1/s1
InChIKey UKSVLTXDAKTGAI-HLTSFMKQSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jkRpOkPfJ5
Name 5-Hexenoic acid, 3-hydroxy-2,4,5-trimethyl-, methyl ester, [2R-(2R*,3S*,4R*)]-
CAS Registry Number 112482-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-6(2)7(3)9(11)8(4)10(12)13-5/h7-9,11H,1H2,2-5H3/t7-,8-,9+/m1/s1
InChIKey UKSVLTXDAKTGAI-HLTSFMKQSA-N
Molecular Weight 186.251 g/mol
SMILES O[C@]([C@](C(=O)OC)(C)[H])([C@@](C(=C)C)(C)[H])[H]
SPLASH splash10-00dl-9100000000-13bff493ac1b5580aab3
Source of Spectrum J-53-1054-25
Synonyms Methyl (2R,3S,4R)-3-hydroxy-2,4,5-trimethyl-5-hexenoate Methyl (2R,3S,4R)-3-hydroxy-2,4,5-trimethylhex-5-enoate
Wiley ID 1182833