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Hexanoic acid, 2-acetyl-5-methyl-, ethyl ester
SpectraBase Compound ID 2oHp46WsWyL
InChI InChI=1S/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey PISGMHLBJJGKRM-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 HG5kT1Ic0Z
Name ethyl 2-acetyl-5-methylhexanoate
Appearance Colourless oil
Carrier Gas Helium
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Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-5-14-11(13)10(9(4)12)7-6-8(2)3/h8,10H,5-7H2,1-4H3
InChIKey PISGMHLBJJGKRM-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711142
Molecular Weight 200.278 g/mol
Quality 218
SMILES C(C)OC(C(CCC(C)C)C(C)=O)=O
SPLASH splash10-0uyi-3900000000-48e56c68de30f255d803
Source of Spectrum ACI-56-SM42-S4 (DOI: 10.1002/anie.201711142)
Thin-Layer Chromatography 0.21 (cyclohexane/EtOAc, 20:1)
Wiley ID 1896774