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undecanoic acid, isopropyl ester
SpectraBase Compound ID JGNGZ8Oovhs
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h13H,4-12H2,1-3H3
InChIKey KJRRQERTCPYNMS-UHFFFAOYSA-N
Mol Weight 228.38 g/mol
Molecular Formula C14H28O2
Exact Mass 228.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YDPyXaYVWq
Name iso-Propyl dodecanoate
CAS Registry Number 10233-13-3
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 228.208930140 u
Formula C14H28O2
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-12-14(15)16-13(2)3/h13H,4-12H2,1-3H3
InChIKey KJRRQERTCPYNMS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 228.376 g/mol
Nominal Mass 228 u
Quality 944
Retention Index 1591
SMILES C(OC(C)C)(CCCCCCCCCC)=O
SPLASH splash10-0zfu-9310000000-e7906865542592b39d2e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Propan-2-yl-dodecanoate
Technique GC/MS
Wiley ID DD2024_004299