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N4-decanoylpyridoxamine, didecanoate

View entire compound with spectra: 1 NMR, and 1 UV-Vis

N4-decanoylpyridoxamine, didecanoate
SpectraBase Compound ID 8zDhwIdOXmI
InChI InChI=1S/C38H66N2O5/c1-5-8-11-14-17-20-23-26-35(41)40-30-34-33(31-44-36(42)27-24-21-18-15-12-9-6-2)29-39-32(4)38(34)45-37(43)28-25-22-19-16-13-10-7-3/h29H,5-28,30-31H2,1-4H3,(H,40,41)
InChIKey KWZMUPWETPZKAV-UHFFFAOYSA-N
Mol Weight 631.0 g/mol
Molecular Formula C38H66N2O5
Exact Mass 630.497173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MfvW9PNxtk
Name N4-Decanoylpyridoxamine, didecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 630.497173228 u
Formula C38H66N2O5
InChI InChI=1S/C38H66N2O5/c1-5-8-11-14-17-20-23-26-35(41)40-30-34-33(31-44-36(42)27-24-21-18-15-12-9-6-2)29-39-32(4)38(34)45-37(43)28-25-22-19-16-13-10-7-3/h29H,5-28,30-31H2,1-4H3,(H,40,41)
InChIKey KWZMUPWETPZKAV-UHFFFAOYSA-N
Molecular Weight 630.955 g/mol
SMILES N(CC=1C(=CN=C(C1OC(CCCCCCCCC)=O)C)COC(CCCCCCCCC)=O)C(CCCCCCCCC)=O