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2-OXO-9C-PHENYL-3-PROP-2-YNYL-2,3,4,9C-TETRAHYDRO-(2AA,9CA)-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER

View entire compound with spectra: 1 NMR

2-OXO-9C-PHENYL-3-PROP-2-YNYL-2,3,4,9C-TETRAHYDRO-(2AA,9CA)-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER
SpectraBase Compound ID 2gJTvPriBpE
InChI InChI=1S/C27H21NO5/c1-4-14-28-16-19-15-17-10-8-9-13-20(17)22-21(24(30)32-2)23(29)27(28,25(31)33-3)26(19,22)18-11-6-5-7-12-18/h1,5-13,15H,14,16H2,2-3H3/t26-,27-/m1/s1
InChIKey PZKOYRKYGFTCGA-KAYWLYCHSA-N
Mol Weight 439.47 g/mol
Molecular Formula C27H21NO5
Exact Mass 439.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tJpdLVRwcJ
Name 2-OXO-9C-PHENYL-3-PROP-2-YNYL-2,3,4,9C-TETRAHYDRO-(2AA,9CA)-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21NO5
InChI InChI=1S/C27H21NO5/c1-4-14-28-16-19-15-17-10-8-9-13-20(17)22-21(24(30)32-2)23(29)27(28,25(31)33-3)26(19,22)18-11-6-5-7-12-18/h1,5-13,15H,14,16H2,2-3H3/t26-,27-/m1/s1
InChIKey PZKOYRKYGFTCGA-KAYWLYCHSA-N
Literature Reference Author Y.YOSHITAKE,K.YAMAGUCHI,C.KAI,T.AKIYAMA,C.HANDA,T.JIKYO,K.HA RANO
Literature Reference Citation J.ORG.CHEM.,66,8902(2001)
Literature Reference DOI 10.1021/jo015941o
Molecular Weight 439.467 g/mol
Solvent CDCl3
Source File Reference UWVN26585