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7-Tetradecene-7,8-diol Diheptanoate
SpectraBase Compound ID Lr1K8r3u602
InChI InChI=1S/C28H52O4/c1-5-9-13-17-21-25(31-27(29)23-19-15-11-7-3)26(22-18-14-10-6-2)32-28(30)24-20-16-12-8-4/h5-24H2,1-4H3/b26-25+
InChIKey VTJJCBAFZIUFBP-OCEACIFDSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhXoitxdo9Q
Name 7-Tetradecene-7,8-diol Diheptanoate
Alternate Name(s) (1E)-2-(heptanoyloxy)-1-hexyl-1-octenyl heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-5-9-13-17-21-25(31-27(29)23-19-15-11-7-3)26(22-18-14-10-6-2)32-28(30)24-20-16-12-8-4/h5-24H2,1-4H3/b26-25+
InChIKey VTJJCBAFZIUFBP-OCEACIFDSA-N
Molecular Weight 452.720 g/mol
SMILES C(O\C(=C/(OC(=O)CCCCCC)CCCCCC)CCCCCC)(=O)CCCCCC
SPLASH splash10-03di-2910000000-928dfab8d671640d1a46
Source of Spectrum J-57-787-0
Wiley ID 1388368