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2,3,6-TRIDEOXY-DL-glycero-HEX-4-ULOSONIC ACID, METHYL ESTER
SpectraBase Compound ID 8R7Xdr4TaSq
InChI InChI=1S/C7H12O4/c1-5(8)6(9)3-4-7(10)11-2/h5,8H,3-4H2,1-2H3
InChIKey GFBVAYDBCPWAND-UHFFFAOYSA-N
Mol Weight 160.17 g/mol
Molecular Formula C7H12O4
Exact Mass 160.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1sxrFYntZo
Name 5-Hydroxy-4-keto-hexanoic acid methyl ester
CAS Registry Number 62859-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O4
InChI InChI=1S/C7H12O4/c1-5(8)6(9)3-4-7(10)11-2/h5,8H,3-4H2,1-2H3
InChIKey GFBVAYDBCPWAND-UHFFFAOYSA-N
Molecular Weight 160.169 g/mol
SMILES OC(C(CCC(=O)OC)=O)C
SPLASH splash10-00kb-9400000000-e732082d718ad333f601
Source of Spectrum K-110-1181-0
Synonyms 5-Hydroxy-4-oxohexanoic acid methyl ester Methyl 5-hydroxy-4-oxo-hexanoate Methyl 5-oxidanyl-4-oxidanylidene-hexanoate
Wiley ID 1156559