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(+)-Ethyl (2S, 3R)-2-hydroxy-3-methylpentanoate
SpectraBase Compound ID IVg5dEBVNmC
InChI InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey TXLBCYISDOYPIH-RQJHMYQMSA-N
Mol Weight 160.21 g/mol
Molecular Formula C8H16O3
Exact Mass 160.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRZQpuWQFh3
Name (+)-Ethyl (2S, 3R)-2-hydroxy-3-methylpentanoate
Classification Fatty acid esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 160.109944372 u
Formula C8H16O3
InChI InChI=1S/C8H16O3/c1-4-6(3)7(9)8(10)11-5-2/h6-7,9H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKey TXLBCYISDOYPIH-RQJHMYQMSA-N
Molecular Weight 160.213 g/mol
Number of Peaks 10
SMILES O[C@@]([C@@](CC)(C)[H])(C(OCC)=O)[H]
SPLASH splash10-004s-9000000000-1a64649f6f7b12b7201b
Source of Spectrum FF-20-377-(+)_14 (DOI: 10.1002/ffj.1510)
Synonyms (2S,3R)-ethyl 2-hydroxy-3-methylpentanoate (2S,3R)-2-hydroxy-3-methylpentanoic acid ethyl ester Ethyl (2S,3R)-2-hydroxy-3-methylpentanoate Ethyl (2S,3R)-2-hydroxy-3-methyl-pentanoate Ethyl (2S,3R)-3-methyl-2-oxidanyl-pentanoate
Wiley ID 1775391