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1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-[[3-(2-chloroethyl)-4-methyl-5-[(phenylmetho xy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, phenylmethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-[[3-(2-chloroethyl)-4-methyl-5-[(phenylmetho xy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, phenylmethyl ester
SpectraBase Compound ID DKnfd76km1k
InChI InChI=1S/C33H35ClN2O6/c1-21-27(15-17-40-23(3)37)31(33(39)42-20-25-12-8-5-9-13-25)35-28(21)18-29-26(14-16-34)22(2)30(36-29)32(38)41-19-24-10-6-4-7-11-24/h4-13,35-36H,14-20H2,1-3H3
InChIKey OGPJNGVAKUPJGP-UHFFFAOYSA-N
Mol Weight 591.1 g/mol
Molecular Formula C33H35ClN2O6
Exact Mass 590.218365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5xou7WtdSE
Name 1H-Pyrrole-2-carboxylic acid, 3-[2-(acetyloxy)ethyl]-5-[[3-(2-chloroethyl)-4-methyl-5-[(phenylmetho xy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-, phenylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.218364549 u
Formula C33H35ClN2O6
InChI InChI=1S/C33H35ClN2O6/c1-21-27(15-17-40-23(3)37)31(33(39)42-20-25-12-8-5-9-13-25)35-28(21)18-29-26(14-16-34)22(2)30(36-29)32(38)41-19-24-10-6-4-7-11-24/h4-13,35-36H,14-20H2,1-3H3
InChIKey OGPJNGVAKUPJGP-UHFFFAOYSA-N
Molecular Weight 591.104 g/mol
SMILES C=1(NC(CC=2NC(C(OCC=3C=CC=CC3)=O)=C(C2C)CCOC(=O)C)=C(C1C)CCCl)C(OCC=1C=CC=CC1)=O