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1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-2-phenyl-, phenylmethyl ester

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

1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-2-phenyl-, phenylmethyl ester
SpectraBase Compound ID EDqGEh7xHka
InChI InChI=1S/C30H36N2O7/c1-18-21(12-14-25(33)37-6)27(29(36)39-30(3,4)5)31-23(18)16-24-19(2)22(28(35)32-24)13-15-26(34)38-17-20-10-8-7-9-11-20/h7-11,16,31H,12-15,17H2,1-6H3,(H,32,35)/b24-16+
InChIKey IWGRQZUTECYEMM-LFVJCYFKSA-N
Mol Weight 536.6 g/mol
Molecular Formula C30H36N2O7
Exact Mass 536.252252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98mFStNHY3I
Name 1H-Pyrrole-3-propanoic acid, 5-[[5-[(1,1-dimethylethoxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-2-phenyl-, phenylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 536.252251500 u
Formula C30H36N2O7
InChI InChI=1S/C30H36N2O7/c1-18-21(12-14-25(33)37-6)27(29(36)39-30(3,4)5)31-23(18)16-24-19(2)22(28(35)32-24)13-15-26(34)38-17-20-10-8-7-9-11-20/h7-11,16,31H,12-15,17H2,1-6H3,(H,32,35)/b24-16+
InChIKey IWGRQZUTECYEMM-LFVJCYFKSA-N
Molecular Weight 536.625 g/mol
SMILES C=1(NC(\C=C/2NC(=O)C(=C2C)CCC(=O)OCC2=CC=CC=C2)=C(C1CCC(=O)OC)C)C(OC(C)(C)C)=O