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Methyl 5-hydroxy-3-oxoheptanoate
SpectraBase Compound ID 5DQmUgqXjpQ
InChI InChI=1S/C8H14O4/c1-3-6(9)4-7(10)5-8(11)12-2/h6,9H,3-5H2,1-2H3
InChIKey NHPNFWSEMRERAY-UHFFFAOYSA-N
Mol Weight 174.2 g/mol
Molecular Formula C8H14O4
Exact Mass 174.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DtBtaiev6X
Name Methyl 5-hydroxy-3-oxoheptanoate
CAS Registry Number 35468-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O4
InChI InChI=1S/C8H14O4/c1-3-6(9)4-7(10)5-8(11)12-2/h6,9H,3-5H2,1-2H3
InChIKey NHPNFWSEMRERAY-UHFFFAOYSA-N
Molecular Weight 174.196 g/mol
SMILES OC(CC(CC(=O)OC)=O)CC
SPLASH splash10-05nf-9300000000-f7f38d3faa12fcd37b7e
Source of Spectrum I-52-2160-4
Synonyms 5-Hydroxy-3-oxoheptanoic acid methyl ester Methyl 5-hydroxy-3-oxo-heptanoate Methyl 5-oxidanyl-3-oxidanylidene-heptanoate
Wiley ID 1170307