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4-Pentenoic acid, 3-hydroxy-2,4-dimethyl-, methyl ester, (R*,S*)-(.+-.)-
SpectraBase Compound ID C3klaf1ebtu
InChI InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h6-7,9H,1H2,2-4H3/t6-,7-/m0/s1
InChIKey KXKXNCOMNMEEBL-BQBZGAKWSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jaPw7fSbSp
Name 4-Pentenoic acid, 3-hydroxy-2,4-dimethyl-, methyl ester, (R*,S*)-(.+-.)-
Alternate Name(s) (+-)-(2RS,3RS)-methyl 3-hydroxy-2,4-dimethylprop-4-enoate methyl (2S,3R)-3-hydroxy-2,4-dimethyl-4-pentenoate
CAS Registry Number 83588-18-5
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h6-7,9H,1H2,2-4H3/t6-,7-/m0/s1
InChIKey KXKXNCOMNMEEBL-BQBZGAKWSA-N
Molecular Weight 158.197 g/mol
SMILES O[C@]([C@@](C(=O)OC)(C)[H])(C(=C)C)[H]
SPLASH splash10-000i-9000000000-297a5a32f593d33e3436
Source of Spectrum C-108-4611-29
Wiley ID 1155226