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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 HIJo4ZVQwhj
Name 2-Hexylmalonic acid diethyl ester
Alternate Name(s) 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
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 splash10-004i-9300000000-b9a2b4d2eb0d3f8c453e
Wiley ID 1499021