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Hexyl-malonic acid, diethyl ester
SpectraBase Compound ID FBM5mR9bJ3y
InChI InChI=1S/C13H24O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h11H,4-10H2,1-3H3
InChIKey HSHMTDVEKPAEGS-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JkCHCzz15r
Name 2-Hexylmalonic acid diethyl ester
CAS Registry Number 5398-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h11H,4-10H2,1-3H3
InChIKey HSHMTDVEKPAEGS-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(=O)(C(C(OCC)=O)CCCCCC)OCC
SPLASH splash10-0abc-9100000000-7adaf1a17a4dcbd40a67
Source of Spectrum W5-21231-0-0
Synonyms Propanedioic acid, hexyl-, diethyl ester 2-Hexylpropanedioic acid diethyl ester Diethyl 2-hexylmalonate Diethyl 2-hexylpropanedioate Diethyl hexylmalonate Malonic acid, hexyl-, diethyl ester EINECS 226-425-3
Wiley ID 1246946