For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-Aza-octanenitrile, 8-(3,4-dimethoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-propyl-
SpectraBase Compound ID EKhtmhfAfWP
InChI InChI=1S/C26H36N2O4/c1-6-13-26(19-27,21-9-10-22(29)24(18-21)31-4)14-7-15-28(2)16-12-20-8-11-23(30-3)25(17-20)32-5/h8-11,17-18,29H,6-7,12-16H2,1-5H3
InChIKey LZAMWGGPSVYBKM-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H36N2O4
Exact Mass 440.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GdEQmT12MSQ
Name 6-aza-Octanenitrile, 8-(3,4-dimethoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-propyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.267507643 u
Formula C26H36N2O4
InChI InChI=1S/C26H36N2O4/c1-6-13-26(19-27,21-9-10-22(29)24(18-21)31-4)14-7-15-28(2)16-12-20-8-11-23(30-3)25(17-20)32-5/h8-11,17-18,29H,6-7,12-16H2,1-5H3
InChIKey LZAMWGGPSVYBKM-UHFFFAOYSA-N
Molecular Weight 440.584 g/mol
SMILES C(CC(C1=CC=C(O)C(=C1)OC)(CCCN(C)CCC1=CC=C(OC)C(=C1)OC)C#N)C