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

*Links on SpectraBase are not permalinks.

1H-Pyrrole-2-carboxylic acid, 3-[3-[(2-ethoxy-1-methyl-2-oxoethyl)amino]-3-oxopropyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, 1,1-dimethylethyl ester, [S-(Z)]-

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

1H-Pyrrole-2-carboxylic acid, 3-[3-[(2-ethoxy-1-methyl-2-oxoethyl)amino]-3-oxopropyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, 1,1-dimethylethyl ester, [S-(Z)]-
SpectraBase Compound ID GiEsGOBGhg9
InChI InChI=1S/C26H37N3O6/c1-9-17-15(4)23(31)29-20(17)13-19-14(3)18(22(28-19)25(33)35-26(6,7)8)11-12-21(30)27-16(5)24(32)34-10-2/h13,16,28H,9-12H2,1-8H3,(H,27,30)(H,29,31)/b20-13-/t16-/m0/s1
InChIKey BETAWTFQLBFUDT-SMEDBKPVSA-N
Mol Weight 487.6 g/mol
Molecular Formula C26H37N3O6
Exact Mass 487.268236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID luLyvcr9YF
Name 1H-Pyrrole-2-carboxylic acid, 3-[3-[(2-ethoxy-1-methyl-2-oxoethyl)amino]-3-oxopropyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, 1,1-dimethylethyl ester, [S-(Z)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.268235917 u
Formula C26H37N3O6
InChI InChI=1S/C26H37N3O6/c1-9-17-15(4)23(31)29-20(17)13-19-14(3)18(22(28-19)25(33)35-26(6,7)8)11-12-21(30)27-16(5)24(32)34-10-2/h13,16,28H,9-12H2,1-8H3,(H,27,30)(H,29,31)/b20-13-/t16-/m0/s1
InChIKey BETAWTFQLBFUDT-SMEDBKPVSA-N
Molecular Weight 487.597 g/mol
SMILES C=1(NC(\C=C\2NC(=O)C(=C2CC)C)=C(C1CCC(N[C@](C(=O)OCC)(C)[H])=O)C)C(OC(C)(C)C)=O