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Hexanoic acid isopentyl ester
SpectraBase Compound ID BAN3isZzBIg
InChI InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKey XVSZRAWFCDHCBP-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvEyT8DCFny
Name Isopentylhexanoate
Carrier Gas Helium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.161979946 u
Formula C11H22O2
GC Column (25 m x 0.32 mm)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChIKey XVSZRAWFCDHCBP-UHFFFAOYSA-N
Inlet Type Split
Instrument Name HP 5880A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240080817
Molecular Weight 186.295 g/mol
Quality 460
SMILES C(CC(C)C)OC(CCCCC)=O
SPLASH splash10-00dl-9000000000-571735146a1145da74df
Source of Spectrum HRC-8-442-Figure 3b (DOI: 10.1002/jhrc.1240080817)
Wiley ID 1912099