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

*Links on SpectraBase are not permalinks.
2,2'-(1,3-Propanediyl)bis[4,6-bis(p-tolyl)-1,3,5-triazine]
SpectraBase Compound ID Irjc7e2ABzb
InChI InChI=1S/C37H34N6/c1-24-8-16-28(17-9-24)34-38-32(39-35(42-34)29-18-10-25(2)11-19-29)6-5-7-33-40-36(30-20-12-26(3)13-21-30)43-37(41-33)31-22-14-27(4)15-23-31/h8-23H,5-7H2,1-4H3
InChIKey JQOJHEMDCUQTAI-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C37H34N6
Exact Mass 562.284495 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 AZCGDZm7ffE
Name 2,2'-(1,3-Propanediyl)bis[4,6-bis(p-tolyl)-1,3,5-triazine]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.284495119 u
Formula C37H34N6
InChI InChI=1S/C37H34N6/c1-24-8-16-28(17-9-24)34-38-32(39-35(42-34)29-18-10-25(2)11-19-29)6-5-7-33-40-36(30-20-12-26(3)13-21-30)43-37(41-33)31-22-14-27(4)15-23-31/h8-23H,5-7H2,1-4H3
InChIKey JQOJHEMDCUQTAI-UHFFFAOYSA-N
Molecular Weight 562.721 g/mol
SMILES CC1=CC=C(C2=NC(CCCC3=NC(C4=CC=C(C)C=C4)=NC(=N3)C3=CC=C(C=C3)C)=NC(=N2)C2=CC=C(C=C2)C)C=C1