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4-Methyl-octanoic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Methyl-octanoic acid, methyl ester
SpectraBase Compound ID 6aOTg9d2F1Y
InChI InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey MGQFXJXUQLOUMY-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 K3Wxve7Mk1Z
Name Octanoic acid, 4-methyl-, methyl ester
CAS Registry Number 15870-07-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3
InChIKey MGQFXJXUQLOUMY-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(C(CCCC)C)CC(OC)=O
SPLASH splash10-059l-9000000000-f362aaf3df1bde308ab7
Source of Spectrum XW-387-0-0
Synonyms 4-Methylcaprylic acid methyl ester 4-Methyloctanoic acid methyl ester Methyl 4-methyloctanoate
Wiley ID 1168978