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11-Azabicyclo[8.2.2]tetradeca-10,12,13-triene-13,14-dicarboxylic acid, 12-phenyl-, dimethyl ester
SpectraBase Compound ID 2WHxsPhiJsJ
InChI InChI=1S/C23H27NO4/c1-27-22(25)19-17-14-10-5-3-4-6-11-15-18(20(19)23(26)28-2)24-21(17)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKey PJXGORLPTCJISD-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C23H27NO4
Exact Mass 381.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C59y3RKoaUs
Name 11-Azabicyclo[8.2.2]tetradeca-10,12,13-triene-13,14-dicarboxylic acid, 12-phenyl-, dimethyl ester
CAS Registry Number 104698-65-9
Comments Less than 3 mono-isotopic peaks
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Formula C23H27NO4
InChI InChI=1S/C23H27NO4/c1-27-22(25)19-17-14-10-5-3-4-6-11-15-18(20(19)23(26)28-2)24-21(17)16-12-8-7-9-13-16/h7-9,12-13H,3-6,10-11,14-15H2,1-2H3
InChIKey PJXGORLPTCJISD-UHFFFAOYSA-N
Molecular Weight 381.472 g/mol
SMILES c1(c(c2CCCCCCCCc1c(n2)-c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-001i-0009000000-4216dc96a70634487e4f
Source of Spectrum AJ-58-3102-13
Synonyms 2-Phenyl-4,5-di(methoxycarbonyl)-3,6-octanopyridine dimethyl 12-phenyl-11-azabicyclo[8.2.2]tetradeca-1(12),10,13-triene-13,14-dicarboxylate
Wiley ID 1360243