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3-Ethoxy-2-(hydroxymethyl)-3-oxopropyl pentanoate
SpectraBase Compound ID 9ML6CdjiamE
InChI InChI=1S/C11H20O5/c1-3-5-6-10(13)16-8-9(7-12)11(14)15-4-2/h9,12H,3-8H2,1-2H3
InChIKey HBWYUZIFFZJJDG-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C11H20O5
Exact Mass 232.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ffu4Ub9TMr
Name 3-Ethoxy-2-(hydroxymethyl)-3-oxopropyl pentanoate
Alternate Name(s) valeric acid (3-ethoxy-3-keto-2-methylol-propyl) ester Pentanoic acid [3-ethoxy-2-(hydroxymethyl)-3-oxopropyl] ester [3-ethoxy-2-(hydroxymethyl)-3-oxopropyl] pentanoate [3-ethoxy-2-(hydroxymethyl)-3-oxo-propyl] pentanoate
CAS Registry Number 125476-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O5
InChI InChI=1S/C11H20O5/c1-3-5-6-10(13)16-8-9(7-12)11(14)15-4-2/h9,12H,3-8H2,1-2H3
InChIKey HBWYUZIFFZJJDG-UHFFFAOYSA-N
Molecular Weight 232.276 g/mol
SMILES OCC(C(=O)OCC)COC(=O)CCCC
SPLASH splash10-0a70-9100000000-bf839befd76b2b0853f5
Wiley ID 1486891