For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(phenylmethyl) 4-tert-butyl-5-[[5-[(3-tert-butyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate

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

(phenylmethyl) 4-tert-butyl-5-[[5-[(3-tert-butyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID AZ0c8UcVxLj
InChI InChI=1S/C44H55N3O4/c1-11-31-32(12-2)34(24-36-38(44(8,9)10)28(4)40(47-36)42(49)51-26-30-21-17-14-18-22-30)45-33(31)23-35-37(43(5,6)7)27(3)39(46-35)41(48)50-25-29-19-15-13-16-20-29/h13-22,45-47H,11-12,23-26H2,1-10H3
InChIKey LETLCXZJTJYFLJ-UHFFFAOYSA-N
Mol Weight 689.9 g/mol
Molecular Formula C44H55N3O4
Exact Mass 689.419257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KhppduNzABC
Name (Phenylmethyl) 4-tert-butyl-5-[[5-[(3-tert-butyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl]-3,4-diethyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 689.419257259 u
Formula C44H55N3O4
InChI InChI=1S/C44H55N3O4/c1-11-31-32(12-2)34(24-36-38(44(8,9)10)28(4)40(47-36)42(49)51-26-30-21-17-14-18-22-30)45-33(31)23-35-37(43(5,6)7)27(3)39(46-35)41(48)50-25-29-19-15-13-16-20-29/h13-22,45-47H,11-12,23-26H2,1-10H3
InChIKey LETLCXZJTJYFLJ-UHFFFAOYSA-N
SMILES C=1(NC(=C(C1CC)CC)CC=1NC(=C(C1C(C)(C)C)C)C(=O)OCC=1C=CC=CC1)CC=1NC(=C(C1C(C)(C)C)C)C(=O)OCC=1C=CC=CC1