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

*Links on SpectraBase are not permalinks.

2,5-Cyclohexadiene-1,4-dione, 2,5-bis(octylamino)-3,6-diphenoxy-

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

2,5-Cyclohexadiene-1,4-dione, 2,5-bis(octylamino)-3,6-diphenoxy-
SpectraBase Compound ID 9lGVs7Lrvk8
InChI InChI=1S/C34H46N2O4/c1-3-5-7-9-11-19-25-35-29-31(37)34(40-28-23-17-14-18-24-28)30(36-26-20-12-10-8-6-4-2)32(38)33(29)39-27-21-15-13-16-22-27/h13-18,21-24,35-36H,3-12,19-20,25-26H2,1-2H3
InChIKey ASJYSZLEGSSHIX-UHFFFAOYSA-N
Mol Weight 546.8 g/mol
Molecular Formula C34H46N2O4
Exact Mass 546.345758 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 Hl1UKDXR0FU
Name 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(octylamino)-3,6-diphenoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.345757965 u
Formula C34H46N2O4
InChI InChI=1S/C34H46N2O4/c1-3-5-7-9-11-19-25-35-29-31(37)34(40-28-23-17-14-18-24-28)30(36-26-20-12-10-8-6-4-2)32(38)33(29)39-27-21-15-13-16-22-27/h13-18,21-24,35-36H,3-12,19-20,25-26H2,1-2H3
InChIKey ASJYSZLEGSSHIX-UHFFFAOYSA-N
Molecular Weight 546.752 g/mol
SMILES CCCCCCCCNC1=C(OC2=CC=CC=C2)C(=O)C(=C(OC2=CC=CC=C2)C1=O)NCCCCCCCC