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

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-2-carboxylic acid, 3-(2-chloroethyl)-5-[[3,4-dimethyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, 1,1-dimethylethyl ester
SpectraBase Compound ID EghRxZUJGK5
InChI InChI=1S/C27H33ClN2O4/c1-16-17(2)23(25(31)33-15-19-10-8-7-9-11-19)29-21(16)14-22-18(3)20(12-13-28)24(30-22)26(32)34-27(4,5)6/h7-11,29-30H,12-15H2,1-6H3
InChIKey XWDLJPQCNGVTBL-UHFFFAOYSA-N
Mol Weight 485.0 g/mol
Molecular Formula C27H33ClN2O4
Exact Mass 484.212885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FiqlyeQ5K5
Name 1H-Pyrrole-2-carboxylic acid, 3-(2-chloroethyl)-5-[[3,4-dimethyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, 1,1-dimethylethyl ester
Alternate Name(s) Benzyl 5'-t-butoxycarbonyl-4'-(2-chloroethyl)-3,3',4-trimethylpyrromethane-5-carboxylate tert-Butyl 5-({5-[(benzyloxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl}methyl)-3-(2-chloroethyl)-4-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 87944-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33ClN2O4
InChI InChI=1S/C27H33ClN2O4/c1-16-17(2)23(25(31)33-15-19-10-8-7-9-11-19)29-21(16)14-22-18(3)20(12-13-28)24(30-22)26(32)34-27(4,5)6/h7-11,29-30H,12-15H2,1-6H3
InChIKey XWDLJPQCNGVTBL-UHFFFAOYSA-N
Molecular Weight 485.024 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)C)C)C)CCCl)C(OC(C)(C)C)=O
SPLASH splash10-005a-0351900000-917a9b4af39e4c18cb7f
Source of Spectrum KC-1983-2333-0
Wiley ID 1396021