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3,6-bis(p-N-octyloxyphenyl)-1,2,4,5-tetrazine

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3,6-bis(p-N-octyloxyphenyl)-1,2,4,5-tetrazine
SpectraBase Compound ID 8tuRQJ7zqCa
InChI InChI=1S/C30H42N4O2/c1-3-5-7-9-11-13-23-35-27-19-15-25(16-20-27)29-31-33-30(34-32-29)26-17-21-28(22-18-26)36-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3
InChIKey OYUKHSSBYCYPKP-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C30H42N4O2
Exact Mass 490.330777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FPlDStc3NMt
Name 3,6-bis(p-N-Octyloxyphenyl)-1,2,4,5-tetrazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.330776606 u
Formula C30H42N4O2
InChI InChI=1S/C30H42N4O2/c1-3-5-7-9-11-13-23-35-27-19-15-25(16-20-27)29-31-33-30(34-32-29)26-17-21-28(22-18-26)36-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3
InChIKey OYUKHSSBYCYPKP-UHFFFAOYSA-N
Molecular Weight 490.692 g/mol
SMILES C1(=NN=C(N=N1)C1=CC=C(C=C1)OCCCCCCCC)C=1C=CC(=CC1)OCCCCCCCC