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1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-.gamma.-[[5-[(1,1-dimethylethoxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl]methyl]-3,4-dimethyl-.gamma.-nitro-, methyl ester

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

1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-.gamma.-[[5-[(1,1-dimethylethoxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl]methyl]-3,4-dimethyl-.gamma.-nitro-, methyl ester
SpectraBase Compound ID 2CdXYNSAdTr
InChI InChI=1S/C29H43N3O8/c1-16-18(3)23(25(34)39-27(5,6)7)30-20(16)14-29(32(36)37,13-12-22(33)38-11)15-21-17(2)19(4)24(31-21)26(35)40-28(8,9)10/h30-31H,12-15H2,1-11H3
InChIKey MAISUZIZQRWGGD-UHFFFAOYSA-N
Mol Weight 561.7 g/mol
Molecular Formula C29H43N3O8
Exact Mass 561.305015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mKnrM0JFCF
Name 1H-Pyrrole-2-pentanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-.gamma.-[[5-[(1,1-dimethylethoxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl]methyl]-3,4-dimethyl-.gamma.-nitro-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 561.305015349 u
Formula C29H43N3O8
InChI InChI=1S/C29H43N3O8/c1-16-18(3)23(25(34)39-27(5,6)7)30-20(16)14-29(32(36)37,13-12-22(33)38-11)15-21-17(2)19(4)24(31-21)26(35)40-28(8,9)10/h30-31H,12-15H2,1-11H3
InChIKey MAISUZIZQRWGGD-UHFFFAOYSA-N
Molecular Weight 561.676 g/mol
SMILES C=1(NC(CC(N(=O)=O)(CC=2NC(C(OC(C)(C)C)=O)=C(C2C)C)CCC(=O)OC)=C(C1C)C)C(OC(C)(C)C)=O