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1,4-Benzenediacetonitrile, .alpha.,.alpha.'-bis[[4-[[2-(acetyloxy)ethyl]methylamino]phenyl]methylene]-
SpectraBase Compound ID HMc1gGZPIQJ
InChI InChI=1S/C34H34N4O4/c1-25(39)41-19-17-37(3)33-13-5-27(6-14-33)21-31(23-35)29-9-11-30(12-10-29)32(24-36)22-28-7-15-34(16-8-28)38(4)18-20-42-26(2)40/h5-16,21-22H,17-20H2,1-4H3/b31-21+,32-22+
InChIKey FXCNSEMKOWIPOF-RWRHWQIFSA-N
Mol Weight 562.7 g/mol
Molecular Formula C34H34N4O4
Exact Mass 562.258006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3Jlk0vHq0O
Name 1,4-Benzenediacetonitrile, .alpha.,.alpha.'-bis[[4-[[2-(acetyloxy)ethyl]methylamino]phenyl]methylene]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.258005587 u
Formula C34H34N4O4
InChI InChI=1S/C34H34N4O4/c1-25(39)41-19-17-37(3)33-13-5-27(6-14-33)21-31(23-35)29-9-11-30(12-10-29)32(24-36)22-28-7-15-34(16-8-28)38(4)18-20-42-26(2)40/h5-16,21-22H,17-20H2,1-4H3/b31-21+,32-22+
InChIKey FXCNSEMKOWIPOF-RWRHWQIFSA-N
Molecular Weight 562.670 g/mol
SMILES CN(CCOC(C)=O)C1=CC=C(\C=C/(C#N)C2=CC=C(C=C2)\C(=C\C2=CC=C(C=C2)N(C)CCOC(C)=O)C#N)C=C1