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Hexanoic acid, 2-ethoxycarbonyl-3-hexanoyloxypropyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Hexanoic acid, 2-ethoxycarbonyl-3-hexanoyloxypropyl ester
SpectraBase Compound ID 5uo2vwLoSfJ
InChI InChI=1S/C18H32O6/c1-4-7-9-11-16(19)23-13-15(18(21)22-6-3)14-24-17(20)12-10-8-5-2/h15H,4-14H2,1-3H3
InChIKey OXJXHUOAUVPCKS-UHFFFAOYSA-N
Mol Weight 344.4 g/mol
Molecular Formula C18H32O6
Exact Mass 344.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29hmD2Js2tC
Name Hexanoic acid, 2-ethoxycarbonyl-3-hexanoyloxypropyl ester
CAS Registry Number 125476-47-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O6
InChI InChI=1S/C18H32O6/c1-4-7-9-11-16(19)23-13-15(18(21)22-6-3)14-24-17(20)12-10-8-5-2/h15H,4-14H2,1-3H3
InChIKey OXJXHUOAUVPCKS-UHFFFAOYSA-N
Molecular Weight 344.448 g/mol
SMILES C(=O)(C(COC(CCCCC)=O)COC(=O)CCCCC)OCC
SPLASH splash10-0095-9100000000-d759ab2fc7af1165756f
Synonyms Hexanoic acid [3-ethoxy-3-oxo-2-(1-oxohexoxymethyl)propyl] ester [3-ethoxy-2-(hexanoyloxymethyl)-3-oxopropyl] hexanoate [3-ethoxy-2-(hexanoyloxymethyl)-3-oxo-propyl] hexanoate [3-ethoxy-2-(hexanoyloxymethyl)-3-oxidanylidene-propyl] hexanoate
Wiley ID 1483161