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5-(23'-Cyano-6'-tricosenyl)-pyrrole-2-carboxaldehyde

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5-(23'-Cyano-6'-tricosenyl)-pyrrole-2-carboxaldehyde
SpectraBase Compound ID 6rWyB2MUbvP
InChI InChI=1S/C29H48N2O/c30-26-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-28-24-25-29(27-32)31-28/h11,13,24-25,27,31H,1-10,12,14-23H2/b13-11+
InChIKey AGXKVFRRGMJGAB-ACCUITESSA-N
Mol Weight 440.7 g/mol
Molecular Formula C29H48N2O
Exact Mass 440.376664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dd7aX7e583
Name 5-(23'-Cyano-6'-tricosenyl)-pyrrole-2-carboxaldehyde
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.376664173 u
Formula C29H48N2O
InChI InChI=1S/C29H48N2O/c30-26-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-28-24-25-29(27-32)31-28/h11,13,24-25,27,31H,1-10,12,14-23H2/b13-11+
InChIKey AGXKVFRRGMJGAB-ACCUITESSA-N
Molecular Weight 440.716 g/mol
SMILES C=1(NC(=CC1)CCCCC\C=C\CCCCCCCCCCCCCCCCC#N)C=O