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Diethyl 7-[(2'-Hydroxymethylbenzoyl)amino]-trideca-2,11-diene-1,13-dioate
SpectraBase Compound ID 6gLTMYeiEb3
InChI InChI=1S/C25H35NO6/c1-3-31-23(28)17-9-5-7-14-21(15-8-6-10-18-24(29)32-4-2)26-25(30)22-16-12-11-13-20(22)19-27/h9-13,16-18,21,27H,3-8,14-15,19H2,1-2H3,(H,26,30)/b17-9+,18-10+
InChIKey DHPLGJSHOJNSDH-BEQMOXJMSA-N
Mol Weight 445.6 g/mol
Molecular Formula C25H35NO6
Exact Mass 445.246438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ji5rsm2hpVw
Name Diethyl 7-[(2'-Hydroxymethylbenzoyl)amino]-trideca-2,11-diene-1,13-dioate
Alternate Name(s) (2E,11E)-diethyl 7-(2-(hydroxymethyl)benzamido)trideca-2,11-dienedioate (2E,11E)-7-[[[2-(hydroxymethyl)phenyl]-oxomethyl]amino]trideca-2,11-dienedioic acid diethyl ester Diethyl (2E,11E)-7-[[2-(hydroxymethyl)benzoyl]amino]trideca-2,11-dienedioate Diethyl (2E,11E)-7-[[2-(hydroxymethyl)phenyl]carbonylamino]trideca-2,11-dienedioate
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Formula C25H35NO6
InChI InChI=1S/C25H35NO6/c1-3-31-23(28)17-9-5-7-14-21(15-8-6-10-18-24(29)32-4-2)26-25(30)22-16-12-11-13-20(22)19-27/h9-13,16-18,21,27H,3-8,14-15,19H2,1-2H3,(H,26,30)/b17-9+,18-10+
InChIKey DHPLGJSHOJNSDH-BEQMOXJMSA-N
Molecular Weight 445.556 g/mol
SMILES OCc1c(C(NC(CCC\C=C\C(=O)OCC)CCC\C=C\C(=O)OCC)=O)cccc1
SPLASH splash10-0059-0600900000-3a8612abaa5e4046148f
Source of Spectrum F5-3-79-10
Wiley ID 1732163