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1H-Pyrrole-3-propanoic acid, 5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, phenylmethyl ester

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

1H-Pyrrole-3-propanoic acid, 5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
SpectraBase Compound ID FOkNNzuqoE4
InChI InChI=1S/C41H42N2O8/c1-27-32(19-21-36(44)48-3)38(40(46)50-25-30-15-9-5-10-16-30)42-34(27)23-35-28(2)33(20-22-37(45)49-24-29-13-7-4-8-14-29)39(43-35)41(47)51-26-31-17-11-6-12-18-31/h4-18,42-43H,19-26H2,1-3H3
InChIKey IYSAIOYVTPAPMI-UHFFFAOYSA-N
Mol Weight 690.8 g/mol
Molecular Formula C41H42N2O8
Exact Mass 690.294116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nbmp8xnj7M
Name 1H-Pyrrole-3-propanoic acid, 5-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-[(phenylmethoxy)carbonyl]-1H-pyrrol-2-yl]methyl]-4-methyl-2-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 690.294116312 u
Formula C41H42N2O8
InChI InChI=1S/C41H42N2O8/c1-27-32(19-21-36(44)48-3)38(40(46)50-25-30-15-9-5-10-16-30)42-34(27)23-35-28(2)33(20-22-37(45)49-24-29-13-7-4-8-14-29)39(43-35)41(47)51-26-31-17-11-6-12-18-31/h4-18,42-43H,19-26H2,1-3H3
InChIKey IYSAIOYVTPAPMI-UHFFFAOYSA-N
SMILES C=1(NC(CC=2NC(C(OCC=3C=CC=CC3)=O)=C(C2C)CCC(=O)OC)=C(C1CCC(=O)OCC=1C=CC=CC1)C)C(OCC1=CC=CC=C1)=O