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1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-, hexadecyl ester, (Z)-

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

1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-, hexadecyl ester, (Z)-
SpectraBase Compound ID KkVZcPITz7D
InChI InChI=1S/C33H52N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-39-32(37)21-20-28-25(3)29(34-31(28)24-36)23-30-27(6-2)26(4)33(38)35-30/h23-24,34H,5-22H2,1-4H3,(H,35,38)/b30-23-
InChIKey OAAPFIFAZSLCIO-WMMMYUQOSA-N
Mol Weight 540.8 g/mol
Molecular Formula C33H52N2O4
Exact Mass 540.392708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mnyxW6mHhf
Name 1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-, hexadecyl ester, (Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.392708158 u
Formula C33H52N2O4
InChI InChI=1S/C33H52N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-39-32(37)21-20-28-25(3)29(34-31(28)24-36)23-30-27(6-2)26(4)33(38)35-30/h23-24,34H,5-22H2,1-4H3,(H,35,38)/b30-23-
InChIKey OAAPFIFAZSLCIO-WMMMYUQOSA-N
Molecular Weight 540.789 g/mol
SMILES C1(N\C(C(=C1C)CC)=C\C=1NC(C=O)=C(C1C)CCC(=O)OCCCCCCCCCCCCCCCC)=O