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(3S)-3-hydroxy-4,4-dimethyl-5-oxoheptanoic acid methyl ester
SpectraBase Compound ID 5UQBk2MeRlL
InChI InChI=1S/C10H18O4/c1-5-7(11)10(2,3)8(12)6-9(13)14-4/h8,12H,5-6H2,1-4H3/t8-/m0/s1
InChIKey QQMKDEPDCGAPID-QMMMGPOBSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeqcbexQk2c
Name (3S)-3-hydroxy-4,4-dimethyl-5-oxoheptanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O4
InChI InChI=1S/C10H18O4/c1-5-7(11)10(2,3)8(12)6-9(13)14-4/h8,12H,5-6H2,1-4H3/t8-/m0/s1
InChIKey QQMKDEPDCGAPID-QMMMGPOBSA-N
Molecular Weight 202.250 g/mol
SMILES O[C@@](CC(=O)OC)(C(C(=O)CC)(C)C)[H]
SPLASH splash10-052f-9000000000-13843622edab174c6081
Source of Spectrum QE-8-3752-23
Synonyms (3S)-3-hydroxy-5-keto-4,4-dimethyl-enanthic acid methyl ester Methyl (3S)-3-hydroxy-4,4-dimethyl-5-oxo-heptanoate Methyl (3S)-4,4-dimethyl-3-oxidanyl-5-oxidanylidene-heptanoate
Wiley ID 1557931