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(3R)-3-hydroxycaprylic acid methyl ester
SpectraBase Compound ID 52vvn7ssxF7
InChI InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKey FHWBTAQRRDZDIY-MRVPVSSYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ozg8RLWtDf
Name (3R)-3-hydroxycaprylic acid methyl ester
CAS Registry Number 78672-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKey FHWBTAQRRDZDIY-MRVPVSSYSA-N
Molecular Weight 174.240 g/mol
SMILES O[C@@](CC(=O)OC)(CCCCC)[H]
SPLASH splash10-0ukc-9800000000-95e9f0058f3dbb8c1b1b
Source of Spectrum QC-17-3403-3
Synonyms (3R)-3-hydroxyoctanoic acid methyl ester Methyl (3R)-3-hydroxyoctanoate Methyl (3R)-3-oxidanyloctanoate
Wiley ID 1638595