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4-Tridecanol, 13-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridyl)-3,5,7,11-tetramethyl-, diacetate (ester)
SpectraBase Compound ID DJHu3hBXupP
InChI InChI=1S/C29H49NO6/c1-11-20(4)26(35-23(7)31)21(5)17-19(3)14-12-13-18(2)15-16-25-22(6)27(36-24(8)32)28(33-9)29(30-25)34-10/h18-21,26H,11-17H2,1-10H3
InChIKey NACZRSAOIHZJNM-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C29H49NO6
Exact Mass 507.355988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WMNMhOXt6S
Name 4-Tridecanol, 13-(4-hydroxy-5,6-dimethoxy-3-methyl-2-pyridyl)-3,5,7,11-tetramethyl-, diacetate (ester)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.355988296 u
Formula C29H49NO6
InChI InChI=1S/C29H49NO6/c1-11-20(4)26(35-23(7)31)21(5)17-19(3)14-12-13-18(2)15-16-25-22(6)27(36-24(8)32)28(33-9)29(30-25)34-10/h18-21,26H,11-17H2,1-10H3
InChIKey NACZRSAOIHZJNM-UHFFFAOYSA-N
Molecular Weight 507.712 g/mol
SMILES CCC(C)C(C(C)CC(C)CCCC(C)CCC1=C(C)C(=C(C(=N1)OC)OC)OC(C)=O)OC(C)=O