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Pentanoic acid, 2-ethoxycarbonyl-3-pentanoyloxypropyl ester

View entire compound with spectra: 2 MS (GC)

Pentanoic acid, 2-ethoxycarbonyl-3-pentanoyloxypropyl ester
SpectraBase Compound ID FkuU9oDyMmu
InChI InChI=1S/C16H28O6/c1-4-7-9-14(17)21-11-13(16(19)20-6-3)12-22-15(18)10-8-5-2/h13H,4-12H2,1-3H3
InChIKey JWNACCPZUFTHHB-UHFFFAOYSA-N
Mol Weight 316.39 g/mol
Molecular Formula C16H28O6
Exact Mass 316.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGuxO68dB25
Name Pentanoic acid, 2-ethoxycarbonyl-3-pentanoyloxypropyl ester
Alternate Name(s) Pentanoic acid [3-ethoxy-3-oxo-2-(1-oxopentoxymethyl)propyl] ester [3-ethoxy-3-oxo-2-(pentanoyloxymethyl)propyl] pentanoate [3-ethoxy-3-oxidanylidene-2-(pentanoyloxymethyl)propyl] pentanoate
CAS Registry Number 125476-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O6
InChI InChI=1S/C16H28O6/c1-4-7-9-14(17)21-11-13(16(19)20-6-3)12-22-15(18)10-8-5-2/h13H,4-12H2,1-3H3
InChIKey JWNACCPZUFTHHB-UHFFFAOYSA-N
Molecular Weight 316.394 g/mol
SMILES C(=O)(CCCC)OCC(C(=O)OCC)COC(=O)CCCC
SPLASH splash10-0550-9100000000-5bb32ff5b44246a9a9d5
Wiley ID 1482326