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

*Links on SpectraBase are not permalinks.

o,o-Diethylthalirugine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

o,o-Diethylthalirugine
SpectraBase Compound ID E6Qv4HWSEo2
InChI InChI=1S/C42H52N2O7/c1-9-49-38-25-32-29(24-37(38)46-6)17-19-43(3)34(32)22-28-13-16-36(45-5)39(23-28)51-30-14-11-27(12-15-30)21-35-33-26-40(47-7)42(48-8)41(50-10-2)31(33)18-20-44(35)4/h11-16,23-26,34-35H,9-10,17-22H2,1-8H3
InChIKey DHPPIXRPMIFBEL-UHFFFAOYSA-N
Mol Weight 696.9 g/mol
Molecular Formula C42H52N2O7
Exact Mass 696.377452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6sH0eXvrtfG
Name o,o-Diethylthalirugine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 696.377452015 u
Formula C42H52N2O7
InChI InChI=1S/C42H52N2O7/c1-9-49-38-25-32-29(24-37(38)46-6)17-19-43(3)34(32)22-28-13-16-36(45-5)39(23-28)51-30-14-11-27(12-15-30)21-35-33-26-40(47-7)42(48-8)41(50-10-2)31(33)18-20-44(35)4/h11-16,23-26,34-35H,9-10,17-22H2,1-8H3
InChIKey DHPPIXRPMIFBEL-UHFFFAOYSA-N
SMILES C12=C(C(OCC)=C(C(=C2)OC)OC)CCN(C1CC1=CC=C(OC2=C(C=CC(CC3C=4C(=CC(=C(C4)OCC)OC)CCN3C)=C2)OC)C=C1)C