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2-carbethoxyhexanoic acid

View entire compound with spectra: 2 MS (GC)

2-carbethoxyhexanoic acid
SpectraBase Compound ID JrMefJFgH53
InChI InChI=1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey IGGGSAHINVSGTM-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35Q8IfUI4VG
Name 2-carbethoxyhexanoic acid
Alternate Name(s) 2-Ethoxycarbonylhexanoic acid Malonic acid, butyl-, monoethyl ester
CAS Registry Number 93504-83-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-3-5-6-7(8(10)11)9(12)13-4-2/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey IGGGSAHINVSGTM-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(C(C(OCC)=O)CCCC)=O
SPLASH splash10-053r-9700000000-2657e8614dfdc56f0c8a
Wiley ID 1490782