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Methyl 5-methyloctanoate
SpectraBase Compound ID 6VSljOqEgHQ
InChI InChI=1S/C10H20O2/c1-4-6-9(2)7-5-8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey NEOVRVKRDMQDGO-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 HlV77xDD868
Name Methyl 5-methyloctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-6-9(2)7-5-8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey NEOVRVKRDMQDGO-UHFFFAOYSA-N
Instrument Name HP7890A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.200
Molecular Weight 172.268 g/mol
SMILES COC(CCCC(CCC)C)=O
SPLASH splash10-05fu-9200000000-76c8beecc242433cc0f4
Source of Spectrum BJO-7-SM18-127
Thin-Layer Chromatography Rf = 0.20 (hexane/ethylacetate, 20:1)
Wiley ID 1867198