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Ethyl (9Z,12E)-12-nitrooctadeca-9,12-dienoate
SpectraBase Compound ID KrgbiWlOoYH
InChI InChI=1S/C20H35NO4/c1-3-5-6-13-16-19(21(23)24)17-14-11-9-7-8-10-12-15-18-20(22)25-4-2/h11,14,16H,3-10,12-13,15,17-18H2,1-2H3/b14-11-,19-16+
InChIKey VOOFWXVFMMZOAG-KSEUKQLSSA-N
Mol Weight 353.5 g/mol
Molecular Formula C20H35NO4
Exact Mass 353.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAB9TmWDrK5
Name Ethyl (9Z,12E)-12-nitrooctadeca-9,12-dienoate
Alternate Name(s) Ethyl (9Z,12E)-12-nitro-9,12-octadecadienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35NO4
InChI InChI=1S/C20H35NO4/c1-3-5-6-13-16-19(21(23)24)17-14-11-9-7-8-10-12-15-18-20(22)25-4-2/h11,14,16H,3-10,12-13,15,17-18H2,1-2H3/b14-11-,19-16+
InChIKey VOOFWXVFMMZOAG-KSEUKQLSSA-N
Molecular Weight 353.503 g/mol
SMILES C(\C=C/(N(=O)=O)C\C=C/CCCCCCCC(=O)OCC)CCCC
SPLASH splash10-14or-0941000000-297eb1f84a4ee9a74f4d
Source of Spectrum J-65-4856-3
Wiley ID 1532844