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13-docosenamide, N-octadecyl-

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13-docosenamide, N-octadecyl-
SpectraBase Compound ID BtmeRLK4APx
InChI InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17+
InChIKey FUSNPOOETKRESL-HTXNQAPBSA-N
Mol Weight 590.1 g/mol
Molecular Formula C40H79NO
Exact Mass 589.616166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ptpl8LLefu
Name 13-Docosenamide, N-octadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 589.616166167 u
Formula C40H79NO
InChI InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17+
InChIKey FUSNPOOETKRESL-HTXNQAPBSA-N
Molecular Weight 590.078 g/mol
SMILES CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC\C=C\CCCCCCCC