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Nonyl tiglate
SpectraBase Compound ID 3SSL4QNGm1G
InChI InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3/b13-5+
InChIKey NIOMGUSCYSQFTC-WLRTZDKTSA-N
Mol Weight 226.36 g/mol
Molecular Formula C14H26O2
Exact Mass 226.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9inBFxnVMyp
Name Nonyl tiglate
CAS Registry Number 29781-04-2
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 226.193280075 u
Formula C14H26O2
InChI InChI=1S/C14H26O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5H,4,6-12H2,1-3H3/b13-5+
InChIKey NIOMGUSCYSQFTC-WLRTZDKTSA-N
Molecular Weight 226.360 g/mol
Number of Peaks 50
RI1 1631
RI2 1307
RI3 1328
RI4 1288
RI5 1615
SMILES C(\C(C)=C\C)(=O)OCCCCCCCCC
SPLASH splash10-0zfr-9500000000-e2b873570f02fb56fd79
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-Butenoic acid, 2-methyl-, nonyl ester, (E)-
Wiley ID LM_FFNSC3_3439