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Methyl eicosa-5,8,11,14,17-pentaenoate

View entire compound with spectra: 1 MS (GC)

Methyl eicosa-5,8,11,14,17-pentaenoate
SpectraBase Compound ID 14Nj1L7PO9M
InChI InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4+,8-7+,11-10+,14-13+,17-16+
InChIKey QWDCYFDDFPWISL-ZACMJQCDSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G98dqQS6mPm
Name Methyl eicosa-5,8,11,14,17-pentaenoate
Alternate Name(s) 5,8,11,14,17-Eicosapentaenoic acid, methyl ester, (all-Z)- Methyl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
CAS Registry Number 2734-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4+,8-7+,11-10+,14-13+,17-16+
InChIKey QWDCYFDDFPWISL-ZACMJQCDSA-N
Molecular Weight 316.485 g/mol
SMILES CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CCCC(OC)=O
SPLASH splash10-002f-9600000000-ebcba726cc706eaeb2ad
Source of Spectrum NP-11-314-0
Wiley ID 1109322