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2-Methyloctanoic acid, methyl ester
SpectraBase Compound ID Fox0S4XHAFm
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)10(11)12-3/h9H,4-8H2,1-3H3
InChIKey PUTZZJOMRXPKCK-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 Cncv6U3E1Cc
Name 2-Methyloctanoic acid, methyl ester
CAS Registry Number 2177-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)10(11)12-3/h9H,4-8H2,1-3H3
InChIKey PUTZZJOMRXPKCK-UHFFFAOYSA-N
Molecular Weight 172.268 g/mol
SMILES C(C(C(OC)=O)C)CCCCC
SPLASH splash10-052r-9100000000-ea5e8c1a52d51411d1e9
Source of Spectrum JX-2011-182
Synonyms Octanoic acid, 2-methyl-, methyl ester Methyl 2-methyloctanoate 2-Methylcaprylic acid methyl ester 2-Methyloctanoic acid methyl ester Methyl ester of 2-methyloctanoic acid
Wiley ID 1660378