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Methyl 6-methyloctanoate
SpectraBase Compound ID GUAkQLaL6q1
InChI InChI=1S/C10H20O2/c1-4-9(2)7-5-6-8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey MMQPDXPEMSYPFH-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 9t8vP3V6ygP
Name Methyl 6-methyloctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-9(2)7-5-6-8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey MMQPDXPEMSYPFH-UHFFFAOYSA-N
Instrument Name HP7890A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.200
Molecular Weight 172.268 g/mol
SMILES COC(CCCCC(CC)C)=O
SPLASH splash10-05g3-9100000000-91e5ca7f49b9cbb4a99b
Source of Spectrum BJO-7-SM17-121c
Thin-Layer Chromatography Rf = 0.38 (hexane/ethyl acetate, 10:1)
Wiley ID 1867192