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Methyl hexanoate
SpectraBase Compound ID BNGYVwPw12C
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gRVk83JVPQ
Name Methyl caproate
Carrier Gas Helium (150 kPa)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 130.099379689 u
Formula C7H14O2
GC Column Superox(TM) or DB-5 (30 m x 0.32 mm, film thickness 0.7 micrometer or 1 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
Inlet Type split (1:10)
Instrument Name HRGC-MS
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240200507
Molecular Weight 130.187 g/mol
Quality 327
SMILES COC(CCCCC)=O
SPLASH splash10-0006-9000000000-944500255b9d0935ab8b
Source of Spectrum HRC-20-277-22 (DOI: 10.1002/jhrc.1240200507)
Wiley ID 1910917