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2-METHYL-OCTANOIC_ACID
SpectraBase Compound ID L2SljJZUi71
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey YSEQNZOXHCKLOG-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBxG1UjePME
Name 2-Methyloctanoic acid
Alternate Name(s) 2-Methylcaprylic acid Caprylic acid, .alpha.-methyl- Octanoic acid, 2-methyl- EINECS 221-104-4 NSC 33927
CAS Registry Number 3004-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey YSEQNZOXHCKLOG-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(C(C)CCCCCC)=O
SPLASH splash10-00di-9100000000-059da4033621f69d0ac0
Wiley ID 1497387