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4,4-DIETHYL-2-OXO-9C-PHENYL-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

4,4-DIETHYL-2-OXO-9C-PHENYL-2,3,4,9C-TETRAHYDRO-(2AA,9CA)-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER
SpectraBase Compound ID 5DguR50XY7f
InChI InChI=1S/C28H27NO5/c1-5-26(6-2)20-16-17-12-10-11-15-19(17)22-21(24(31)33-3)23(30)28(29-26,25(32)34-4)27(20,22)18-13-8-7-9-14-18/h7-16,29H,5-6H2,1-4H3/t27-,28-/m1/s1
InChIKey NNSOMIVQALGDMC-VSGBNLITSA-N
Mol Weight 457.53 g/mol
Molecular Formula C28H27NO5
Exact Mass 457.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYq6arMvy5D
Name 4,4-DIETHYL-2-OXO-9C-PHENYL-2,3,4,9C-TETRAHYDRO-(2AA,9CA)-3-AZA-PENTALENO-[1,6-AB]-NAPHTHALENE-1,2A-DICARBOXYLIC-ACID-DIMETHYLESTER
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H27NO5
InChI InChI=1S/C28H27NO5/c1-5-26(6-2)20-16-17-12-10-11-15-19(17)22-21(24(31)33-3)23(30)28(29-26,25(32)34-4)27(20,22)18-13-8-7-9-14-18/h7-16,29H,5-6H2,1-4H3/t27-,28-/m1/s1
InChIKey NNSOMIVQALGDMC-VSGBNLITSA-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 457.526 g/mol
Solvent CDCl3
Source File Reference UWVN26587