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DECANOIC ACID, ISOPENTYL ESTER
SpectraBase Compound ID 5Wjq4W4K2qL
InChI InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKey XDOGFYDZGUDBQY-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jt4RZFel0L5
Name Isopentyl Decanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKey XDOGFYDZGUDBQY-UHFFFAOYSA-N
Instrument Name Thermo scientific LCQ/Agilent 5975B-7890N MSD/ GCT premier
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c01169
Molecular Weight 242.403 g/mol
Reported Formula C15H30O2
SMILES C(CC(C)C)OC(CCCCCCCCC)=O
SPLASH splash10-0ab9-9400000000-f70f6986a1f439790226
Source of Spectrum JOC-86-11626-23a
Thin-Layer Chromatography Rf = 0.86 (hexane/EtOAc, 5:1)
Wiley ID 1867926