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2-acetylheptanoic acid, ethyl ester
SpectraBase Compound ID 1E5c2TWHHrH
InChI InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3
InChIKey XIGZBCUFFUBWDM-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lQD1J4XsIB
Name Heptanoic acid, 2-acetyl-, ethyl ester
Alternate Name(s) 2-Acetylenanthic acid ethyl ester 2-Acetylheptanoic acid ethyl ester Ethyl 2-acetylheptanoate Ethyl 2-ethanoylheptanoate AI3-06004 EINECS 246-157-0 NSC 67887
CAS Registry Number 24317-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h10H,4-8H2,1-3H3
InChIKey XIGZBCUFFUBWDM-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES CCCCCC(C(=O)OCC)C(C)=O
SPLASH splash10-0fdo-9800000000-8a5562cfd73e90371ec9
Wiley ID 1471997