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HEPTYLMALONIC ACID, DIETHYL ESTER
SpectraBase Compound ID 3TR3nZgZxkw
InChI InChI=1S/C14H26O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h12H,4-11H2,1-3H3
InChIKey HIJIXCXMVYTMCY-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C14H26O4
Exact Mass 258.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBzmE1yNpCk
Name 2-Heptylmalonic acid diethyl ester
Alternate Name(s) Diethyl 2-heptylmalonate 2-Heptylpropanedioic acid diethyl ester Diethyl 2-heptylpropanedioate Propanedioic acid, heptyl-, diethyl ester
CAS Registry Number 607-83-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H26O4
InChI InChI=1S/C14H26O4/c1-4-7-8-9-10-11-12(13(15)17-5-2)14(16)18-6-3/h12H,4-11H2,1-3H3
InChIKey HIJIXCXMVYTMCY-UHFFFAOYSA-N
Molecular Weight 258.358 g/mol
SMILES C(C(=O)OCC)(C(=O)OCC)CCCCCCC
SPLASH splash10-03fr-9800000000-f9ab7268ab29dc9d3b96
Source of Spectrum HE-1986-2167-0
Wiley ID 1261699