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Butanoic acid, pentyl ester
SpectraBase Compound ID BqMEQ5wVsvt
InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LlAUIz9xTw
Name Amyl butyrate
Carrier Gas Helium (150 kPa)
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Exact Mass 158.130679818 u
Formula C9H18O2
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/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
Inlet Type split (1:10)
Instrument Name HRGC-MS
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240200507
Molecular Weight 158.241 g/mol
Quality 198
SMILES C(CCCC)OC(CCC)=O
SPLASH splash10-006x-9000000000-68ed4bec02b6d30bd008
Source of Spectrum HRC-20-277-31 (DOI: 10.1002/jhrc.1240200507)
Wiley ID 1910926