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1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-5-[[3,4-dimethyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-, phenylmethyl ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-5-[[3,4-dimethyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-, phenylmethyl ester
SpectraBase Compound ID IUaYXJKjtln
InChI InChI=1S/C30H31ClN2O4/c1-19-20(2)27(29(34)36-17-22-10-6-4-7-11-22)32-25(19)16-26-24(14-15-31)21(3)28(33-26)30(35)37-18-23-12-8-5-9-13-23/h4-13,32-33H,14-18H2,1-3H3
InChIKey HNUYVWTWOFEJQL-UHFFFAOYSA-N
Mol Weight 519.04 g/mol
Molecular Formula C30H31ClN2O4
Exact Mass 518.197235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZPJXAjl3Q3
Name 1H-Pyrrole-2-carboxylic acid, 4-(2-chloroethyl)-5-[[3,4-dimethyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-3-methyl-, phenylmethyl ester
Alternate Name(s) benzyl 5-({5-[(benzyloxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl}methyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate Dibenzyl 3-(2-chloroethyl)-3',4,4'-trimethylpyrromethane-5,5'-dicarboxylate
CAS Registry Number 87944-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31ClN2O4
InChI InChI=1S/C30H31ClN2O4/c1-19-20(2)27(29(34)36-17-22-10-6-4-7-11-22)32-25(19)16-26-24(14-15-31)21(3)28(33-26)30(35)37-18-23-12-8-5-9-13-23/h4-13,32-33H,14-18H2,1-3H3
InChIKey HNUYVWTWOFEJQL-UHFFFAOYSA-N
Molecular Weight 519.041 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)C)C)CCCl)C)C(OCc1ccccc1)=O
SPLASH splash10-01b9-0161290000-cfbe369d7e83948ed58a
Source of Spectrum KC-1983-2332-0
Wiley ID 1401725