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3-Hydroxyoctanoic acid methyl ester
SpectraBase Compound ID INdaMjnKmok
InChI InChI=1S/C9H18O3/c1-3-4-5-6-8(10)7-9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKey FHWBTAQRRDZDIY-UHFFFAOYSA-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 AzMONH9WWYK
Name 3-Hydroxyoctanoic acid methyl ester
Alternate Name(s) Methyl 3-hydroxyoctanoate 3-Hydroxycaprylic acid methyl ester Methyl 3-oxidanyloctanoate Octanoic acid, 3-hydroxy-, methyl ester EINECS 230-917-3
CAS Registry Number 7367-87-5
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
InChIKey FHWBTAQRRDZDIY-UHFFFAOYSA-N
Molecular Weight 174.240 g/mol
SMILES OC(CC(=O)OC)CCCCC
SPLASH splash10-0a4i-3900000000-db9ff64e75b9278716cd
Source of Spectrum KC-61-2716-11
Wiley ID 1628207