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4-Pentenoic acid, 3-ethyl-2-(1-hydroxyethyl)-2,3-dimethyl-, methyl ester, [2R*(R*),3R*]-
SpectraBase Compound ID HroHAe2hqaL
InChI InChI=1S/C12H22O3/c1-7-11(4,8-2)12(5,9(3)13)10(14)15-6/h7,9,13H,1,8H2,2-6H3/t9?,11-,12+/m0/s1
InChIKey KMPADBSINURDLO-CLGJWYQZSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O3aTcfzDYf
Name 4-Pentenoic acid, 3-ethyl-2-(1-hydroxyethyl)-2,3-dimethyl-, methyl ester, [2R*(R*),3R*]-
CAS Registry Number 122332-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7-11(4,8-2)12(5,9(3)13)10(14)15-6/h7,9,13H,1,8H2,2-6H3/t9?,11-,12+/m0/s1
InChIKey KMPADBSINURDLO-CLGJWYQZSA-N
Molecular Weight 214.305 g/mol
SMILES OC([C@](C(=O)OC)([C@@](C=C)(CC)C)C)C
SPLASH splash10-0536-9300000000-dfb27c52e8e800511e4a
Source of Spectrum F-44-7597-17
Synonyms Methyl (2R*,3R*)-2,3-dimethyl-3-ethyl-2-(1-(S*)-hydroxyethyl)-4-pentenoate Methyl (2R,3R)-3-ethyl-2-(1-hydroxyethyl)-2,3-dimethyl-4-pentenoate
Wiley ID 1213613