9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester

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Systematic / IUPAC Name: methyl (9Z,11E,13E)-octadeca-9,11,13-trienoate

ID: Reference6603

Other Names: 9(Z),11(E),13(E)-Octadecatrienoic acid methyl ester;
9,11,13-Octadecatrienoic acid, methyl ester, (9Z,11E,13E)-;
9Z,11E,13E-Octadecatrienoic Acid methyl ester;
Methyl eleostearate

Formula: C19H32O2

Spectral Data

9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2772
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/12/2017 12:20:16 PM
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Identificators

InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h6-11H,3-5,12-18H2,1-2H3/b7-6+,9-8+,11-10-
InChI Key KOJYENXGDXRGDK-ZUGARUELSA-N
Canonical SMILES CCCCC=CC=CC=CCCCCCCCC(=O)OC
CAS 4175477
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Other Names 9(Z),11(E),13(E)-Octadecatrienoic acid methyl ester;
9,11,13-Octadecatrienoic acid, methyl ester, (9Z,11E,13E)-;
9Z,11E,13E-Octadecatrienoic Acid methyl ester;
Methyl eleostearate

In Other Databases

PubChem 21718552
ChemSpider 10301189