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2-Nonynoic acid methyl ester
SpectraBase Compound ID 565pPk0H5Kj
InChI InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xTGjnw5lWn
Name Non-2-ynoate
Source of Sample SAFC Cat.no. W272604
CAS Registry Number 111-80-8
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 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N
Molecular Weight 168.236 g/mol
Number of Peaks 50
RI1 1300
RI2 978
SMILES C(C#CCCCCCC)(=O)OC
SPLASH splash10-00mo-9200000000-709e14c51686181c7ea8
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Nonynoic acid, methyl ester
Wiley ID LM_FFNSC3_467