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Hexanoic acid, 5,6-dihydroxy-4-oxo-, methyl ester, (S)-
SpectraBase Compound ID 2OUgheDNlr3
InChI InChI=1S/C7H12O5/c1-12-7(11)3-2-5(9)6(10)4-8/h6,8,10H,2-4H2,1H3/t6-/m0/s1
InChIKey SBLWCDQWIUTZCA-LURJTMIESA-N
Mol Weight 176.17 g/mol
Molecular Formula C7H12O5
Exact Mass 176.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fP5wVLG4oE
Name Hexanoic acid, 5,6-dihydroxy-4-oxo-, methyl ester, (S)-
CAS Registry Number 62797-08-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O5
InChI InChI=1S/C7H12O5/c1-12-7(11)3-2-5(9)6(10)4-8/h6,8,10H,2-4H2,1H3/t6-/m0/s1
InChIKey SBLWCDQWIUTZCA-LURJTMIESA-N
Molecular Weight 176.168 g/mol
SMILES O[C@@](CO)(C(=O)CCC(=O)OC)[H]
SPLASH splash10-014i-5900000000-7966a494a41f5ed9f10c
Source of Spectrum K-110-1181-0
Synonyms (5S)-5,6-dihydroxy-4-keto-hexanoic acid methyl ester (5S)-5,6-dihydroxy-4-oxohexanoic acid methyl ester Methyl (5S)-5,6-bis(oxidanyl)-4-oxidanylidene-hexanoate Methyl (5S)-5,6-dihydroxy-4-oxo-hexanoate
Wiley ID 1171945