Pinolenic acid ethyl ester

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Systematic / IUPAC Name: Ethyl (5Z,9Z,12Z)-octadeca-5,9,12-trienoate

ID: Reference6610

Other Names: (5Z,9Z,12Z)-Ethyl octadeca-5,9,12-trienoate;
5Z,9Z,12Z-Octadecatrienoic acid, ethyl ester;
Ethyl (5Z,9Z,12Z)-5,9,12-octadecatrienoate

Formula: C20H34O2

Spectral Data

Pinolenic acid ethyl 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 1
No. of Spectra 5858
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/13/2017 11:25:15 AM
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Identificators

InChI InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,15-16H,3-7,10,13-14,17-19H2,1-2H3/b9-8-,12-11-,16-15-
InChI Key VNRWOSFYACMRHX-UCVSHGSNSA-N
Canonical SMILES CCCCCC=CCC=CCCC=CCCCC(=O)OCC
CAS 493015740
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Other Names (5Z,9Z,12Z)-Ethyl octadeca-5,9,12-trienoate;
5Z,9Z,12Z-Octadecatrienoic acid, ethyl ester;
Ethyl (5Z,9Z,12Z)-5,9,12-octadecatrienoate

In Other Databases

PubChem 35027734
ChemSpider 21467697