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SPIRO-[CYCLOHEXANE-1',4-(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 KEvdRVAhtim
InChI InChI=1S/C29H27NO5/c1-34-25(32)22-23-20-14-8-7-11-18(20)17-21-27(15-9-4-10-16-27)30-29(24(22)31,26(33)35-2)28(21,23)19-12-5-3-6-13-19/h3,5-8,11-14,17,30H,4,9-10,15-16H2,1-2H3/t28-,29-/m1/s1
InChIKey MTOCIAGXKPGBHH-FQLXRVMXSA-N
Mol Weight 469.54 g/mol
Molecular Formula C29H27NO5
Exact Mass 469.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fihg0dUhnCg
Name SPIRO-[CYCLOHEXANE-1',4-(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 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27NO5
InChI InChI=1S/C29H27NO5/c1-34-25(32)22-23-20-14-8-7-11-18(20)17-21-27(15-9-4-10-16-27)30-29(24(22)31,26(33)35-2)28(21,23)19-12-5-3-6-13-19/h3,5-8,11-14,17,30H,4,9-10,15-16H2,1-2H3/t28-,29-/m1/s1
InChIKey MTOCIAGXKPGBHH-FQLXRVMXSA-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 469.537 g/mol
Solvent CDCl3
Source File Reference UWVN26588