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2-Nonynoic acid, ethyl ester
SpectraBase Compound ID BQAIheyAu7l
InChI InChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
InChIKey BFZNMUGAZYAMTG-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TbUq47jf75
Name Ethyl 2-nonynoate
CAS Registry Number 10031-92-2
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 182.130679818 u
Formula C11H18O2
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/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
InChIKey BFZNMUGAZYAMTG-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
Nominal Mass 182 u
Number of Peaks 117
SMILES CCCCCCC#CC(OCC)=O
SPLASH splash10-00kf-9200000000-a66534d3eaad05c545cb
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001589