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1H-Pyrrole-3-propanoic acid, 5-[(dimethylamino)carbonyl]-4-(2-methoxy-2-oxoethyl)-2-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID 2Cs5eK1UoFm
InChI InChI=1S/C22H26N2O7/c1-24(2)21(27)19-16(12-18(26)30-4)15(10-11-17(25)29-3)20(23-19)22(28)31-13-14-8-6-5-7-9-14/h5-9,23H,10-13H2,1-4H3
InChIKey FNTPOEMAESKODN-UHFFFAOYSA-N
Mol Weight 430.46 g/mol
Molecular Formula C22H26N2O7
Exact Mass 430.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaAZPXcLBL9
Name 1H-Pyrrole-3-propanoic acid, 5-[(dimethylamino)carbonyl]-4-(2-methoxy-2-oxoethyl)-2-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Registry Number 74839-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O7
InChI InChI=1S/C22H26N2O7/c1-24(2)21(27)19-16(12-18(26)30-4)15(10-11-17(25)29-3)20(23-19)22(28)31-13-14-8-6-5-7-9-14/h5-9,23H,10-13H2,1-4H3
InChIKey FNTPOEMAESKODN-UHFFFAOYSA-N
Molecular Weight 430.457 g/mol
SMILES [nH]1c(c(c(c1C(N(C)C)=O)CC(=O)OC)CCC(=O)OC)C(OCc1ccccc1)=O
SPLASH splash10-0006-9001100000-4dcbf8d419c8b703c8f7
Source of Spectrum KC-1987-291-18
Synonyms Benzyl 5-dimethylcarbamoyl-4-methoxycarbonylmethyl-3-(2-methoxycarbonylethyl)pyrrole-2-carboxylate benzyl 5-[(dimethylamino)carbonyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1381467