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Hexanoic acid isobutyl ester
SpectraBase Compound ID 6rV34nbm0ks
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wtU6Pp0oP7
Name Isobutylhexanoate
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.146329882 u
Formula C10H20O2
GC Column (25 m x 0.32 mm)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N
Inlet Type Split
Instrument Name HP 5880A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240080817
Molecular Weight 172.268 g/mol
Quality 681
SMILES C(C(C)C)OC(CCCCC)=O
SPLASH splash10-052f-9000000000-ac4563e1e0bd070a860c
Source of Spectrum HRC-8-442-Figure 3a (DOI: 10.1002/jhrc.1240080817)
Wiley ID 1912098