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13-(Benzoyloxy)-tetradeca-2,4,8-trienal
SpectraBase Compound ID LlbOhZWqCN6
InChI InChI=1S/C21H26O3/c1-19(24-21(23)20-16-12-10-13-17-20)15-11-8-6-4-2-3-5-7-9-14-18-22/h4-7,9-10,12-14,16-19H,2-3,8,11,15H2,1H3/b6-4+,7-5+,14-9+
InChIKey FTHOVPGFVMLJAR-VWYVCCRGSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cHqwstJzlq
Name 13-(Benzoyloxy)-tetradeca-2,4,8-trienal
Alternate Name(s) (5E,9E,11E)-1-methyl-13-oxo-5,9,11-tridecatrienyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-19(24-21(23)20-16-12-10-13-17-20)15-11-8-6-4-2-3-5-7-9-14-18-22/h4-7,9-10,12-14,16-19H,2-3,8,11,15H2,1H3/b6-4+,7-5+,14-9+
InChIKey FTHOVPGFVMLJAR-VWYVCCRGSA-N
Molecular Weight 326.436 g/mol
SMILES C(OC(CCC\C=C\CC\C=C\C=C\C=O)C)(=O)c1ccccc1
SPLASH splash10-0a6r-7900000000-5f6c0ab46ecb7883b4c1
Source of Spectrum AC-1990-805-17
Wiley ID 747858