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2H-Pyrrole-3,4-dicarboxylic acid, 3,4-dihydro-2-(2-hydroxy-1-naphthalenyl)-5-phenyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.)-

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2H-Pyrrole-3,4-dicarboxylic acid, 3,4-dihydro-2-(2-hydroxy-1-naphthalenyl)-5-phenyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.)-
SpectraBase Compound ID 6oCtXnH0MSo
InChI InChI=1S/C24H21NO5/c1-29-23(27)19-20(24(28)30-2)22(25-21(19)15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-17(18)26/h3-13,19-20,22,26H,1-2H3/t19-,20-,22+/m0/s1
InChIKey BZRBUFIREXTMDU-JAXLGGSGSA-N
Mol Weight 403.43 g/mol
Molecular Formula C24H21NO5
Exact Mass 403.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hve8ZXfwZg3
Name 2H-Pyrrole-3,4-dicarboxylic acid, 3,4-dihydro-2-(2-hydroxy-1-naphthalenyl)-5-phenyl-, dimethyl ester, (2.alpha.,3.beta.,4.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.141972775 u
Formula C24H21NO5
InChI InChI=1S/C24H21NO5/c1-29-23(27)19-20(24(28)30-2)22(25-21(19)15-9-4-3-5-10-15)18-16-11-7-6-8-14(16)12-13-17(18)26/h3-13,19-20,22,26H,1-2H3/t19-,20-,22+/m0/s1
InChIKey BZRBUFIREXTMDU-JAXLGGSGSA-N
Molecular Weight 403.434 g/mol
SMILES [C@]1([C@@]([C@@](C2=C3C(C=CC=C3)=CC=C2O)(N=C1C=1C=CC=CC1)[H])(C(=O)OC)[H])(C(=O)OC)[H]