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Dibenzyl 5-[(4-(hydroxymethylylphenyl]-2,3,7,8-tetramethyldipyrromethane-1,9-dicarboxylate
SpectraBase Compound ID 3RCIZ0m4n4Z
InChI InChI=1S/C36H36N2O5/c1-22-24(3)33(35(40)42-20-27-11-7-5-8-12-27)37-31(22)30(29-17-15-26(19-39)16-18-29)32-23(2)25(4)34(38-32)36(41)43-21-28-13-9-6-10-14-28/h5-18,30,37-39H,19-21H2,1-4H3
InChIKey GCLHWTVMSQXEOE-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C36H36N2O5
Exact Mass 576.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48lmqQEEWFm
Name Dibenzyl 5-[(4-(hydroxymethylylphenyl]-2,3,7,8-tetramethyldipyrromethane-1,9-dicarboxylate
Alternate Name(s) benzyl 5-{{5-[(benzyloxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl}[4-(hydroxymethyl)phenyl]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36N2O5
InChI InChI=1S/C36H36N2O5/c1-22-24(3)33(35(40)42-20-27-11-7-5-8-12-27)37-31(22)30(29-17-15-26(19-39)16-18-29)32-23(2)25(4)34(38-32)36(41)43-21-28-13-9-6-10-14-28/h5-18,30,37-39H,19-21H2,1-4H3
InChIKey GCLHWTVMSQXEOE-UHFFFAOYSA-N
Molecular Weight 576.693 g/mol
SMILES [nH]1c(c(c(c1C(c1ccc(CO)cc1)c1[nH]c(c(c1C)C)C(OCc1ccccc1)=O)C)C)C(OCc1ccccc1)=O
SPLASH splash10-0006-9001020000-947d235cf7fc9ab33e40
Source of Spectrum C-118-3879-35
Wiley ID 759541