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3-(2-Methoxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 2-benzyl ester 5-tert-butyl ester
SpectraBase Compound ID IBZOQP2lZkQ
InChI InChI=1S/C22H27NO6/c1-14-16(11-12-17(24)27-5)19(23-18(14)21(26)29-22(2,3)4)20(25)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3
InChIKey LHZRJXNOBROFJU-UHFFFAOYSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmWGbFkDlYj
Name 3-(2-Methoxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 2-benzyl ester 5-tert-butyl ester
Alternate Name(s) 2-Benzyl 5-tert-butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-14-16(11-12-17(24)27-5)19(23-18(14)21(26)29-22(2,3)4)20(25)28-13-15-9-7-6-8-10-15/h6-10,23H,11-13H2,1-5H3
InChIKey LHZRJXNOBROFJU-UHFFFAOYSA-N
Molecular Weight 401.459 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCc1ccccc1)CCC(=O)OC)C)C(=O)OC(C)(C)C
SPLASH splash10-00di-0090000000-5baec1ed61940375e616
Source of Spectrum SO-0-94-3
Wiley ID 1611804