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13-(4,8-Diacetyl-10-cyano-4,8-diazadecyl)-12-dodecanolactam

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13-(4,8-Diacetyl-10-cyano-4,8-diazadecyl)-12-dodecanolactam
SpectraBase Compound ID 2q4Es1GvY3r
InChI InChI=1S/C25H44N4O3/c1-22(30)28(20-13-21-29(23(2)31)19-12-17-26)18-11-15-24-14-9-7-5-3-4-6-8-10-16-25(32)27-24/h24H,3-16,18-21H2,1-2H3,(H,27,32)
InChIKey FNKLXWYDVLJYAU-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C25H44N4O3
Exact Mass 448.341341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fs6K98SnMib
Name 13-(4,8-Diacetyl-10-cyano-4,8-diazadecyl)-12-dodecanolactam
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.341341290 u
Formula C25H44N4O3
InChI InChI=1S/C25H44N4O3/c1-22(30)28(20-13-21-29(23(2)31)19-12-17-26)18-11-15-24-14-9-7-5-3-4-6-8-10-16-25(32)27-24/h24H,3-16,18-21H2,1-2H3,(H,27,32)
InChIKey FNKLXWYDVLJYAU-UHFFFAOYSA-N
Molecular Weight 448.652 g/mol
SMILES C1CCCC(NC(CCCCCC1)=O)CCCN(CCCN(CCC#N)C(=O)C)C(=O)C