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1H-Pyrrole-2,5-dicarboxylic acid, 3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-, 5-(phenylmethyl) 2-(2,2,2-trichloroethyl)ester

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-2,5-dicarboxylic acid, 3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-, 5-(phenylmethyl) 2-(2,2,2-trichloroethyl)ester
SpectraBase Compound ID 7H7J6pOHzFV
InChI InChI=1S/C22H22Cl3NO8/c1-31-16(27)9-8-14-15(10-17(28)32-2)19(21(30)34-12-22(23,24)25)26-18(14)20(29)33-11-13-6-4-3-5-7-13/h3-7,26H,8-12H2,1-2H3
InChIKey QCWKOJGBTRAZOH-UHFFFAOYSA-N
Mol Weight 534.78 g/mol
Molecular Formula C22H22Cl3NO8
Exact Mass 533.0411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAk5qbPzJB2
Name 1H-Pyrrole-2,5-dicarboxylic acid, 3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-, 5-(phenylmethyl) 2-(2,2,2-trichloroethyl)ester
CAS Registry Number 111807-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22Cl3NO8
InChI InChI=1S/C22H22Cl3NO8/c1-31-16(27)9-8-14-15(10-17(28)32-2)19(21(30)34-12-22(23,24)25)26-18(14)20(29)33-11-13-6-4-3-5-7-13/h3-7,26H,8-12H2,1-2H3
InChIKey QCWKOJGBTRAZOH-UHFFFAOYSA-N
Molecular Weight 534.776 g/mol
SMILES [nH]1c(c(c(c1C(OCC(Cl)(Cl)Cl)=O)CC(=O)OC)CCC(=O)OC)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000010000-0792ca9fe83f5f4a1968
Source of Spectrum KC-1987-291-0
Synonyms 5-Benzyl 2-(2,2,2-trichloroethyl) 3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2,5-dicarboxylate Benzyl 3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethyl-5-(2,2,2-trichloroethoxycarbonyl)pyrrole-2-carboxylate
Wiley ID 1403689