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Undecanoic acid
SpectraBase Compound ID CnQNBmkBmg0
InChI InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey ZDPHROOEEOARMN-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3YI6Zi0FG4
Name Undecanoic acid
CAS Registry Number 112-37-8
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey ZDPHROOEEOARMN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 186.295 g/mol
Nominal Mass 186 u
Quality 972
Retention Index 1290
SMILES OC(CCCCCCCCCC)=O
SPLASH splash10-022c-9100000000-ff0780bef79f3bb22693
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms undecanoic acid
Technique GC/MS
Wiley ID DD2024_006950