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Undecanoic acid methyl ester
SpectraBase Compound ID 1W2aIQtDZ5x
InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
InChIKey XPQPWPZFBULGKT-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ev6Elzwef3L
Name Methyl undecanoate
CAS Registry Number 1731-86-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 200.177630011 u
Formula C12H24O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
InChIKey XPQPWPZFBULGKT-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
Nominal Mass 200 u
Number of Peaks 148
SMILES C(CCC(OC)=O)CCCCCCC
SPLASH splash10-00dl-9100000000-989948b967495257de92
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001904