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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 2z8NPexGyE8
Name Pentyl butanoate
CAS Registry Number 540-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCCCOC(=O)CCC
SPLASH splash10-006x-9000000000-5d168d52dcb0f8fe5e6b
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887775