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4-Pentenoic acid, 2-acetyl-3-ethyl-2,3-dimethyl-, methyl ester, (R*,R*)-
SpectraBase Compound ID 4S9top6C96V
InChI InChI=1S/C12H20O3/c1-7-11(4,8-2)12(5,9(3)13)10(14)15-6/h7H,1,8H2,2-6H3/t11-,12+/m0/s1
InChIKey ULMDELQHLPADJT-NWDGAFQWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1AwIuxqBha
Name 4-Pentenoic acid, 2-acetyl-3-ethyl-2,3-dimethyl-, methyl ester, (R*,R*)-
CAS Registry Number 122305-30-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-7-11(4,8-2)12(5,9(3)13)10(14)15-6/h7H,1,8H2,2-6H3/t11-,12+/m0/s1
InChIKey ULMDELQHLPADJT-NWDGAFQWSA-N
Molecular Weight 212.289 g/mol
SMILES [C@](C(=O)OC)([C@@](C=C)(CC)C)(C(=O)C)C
SPLASH splash10-0006-9300000000-048294a06ec45fc4d1c1
Source of Spectrum F-44-7597-15
Synonyms Methyl (2R*,3R*)-2,3-dimethyl-3-ethyl-2-(1-oxyethyl)-4-pentenoate Methyl (2R,3R)-2-acetyl-3-ethyl-2,3-dimethyl-4-pentenoate
Wiley ID 1211505