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1,2,4,5-Tetrazine, 3,6-bis(4-nonyloxyphenyl)-

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1,2,4,5-Tetrazine, 3,6-bis(4-nonyloxyphenyl)-
SpectraBase Compound ID 4pF4udR3Zjg
InChI InChI=1S/C32H46N4O2/c1-3-5-7-9-11-13-15-25-37-29-21-17-27(18-22-29)31-33-35-32(36-34-31)28-19-23-30(24-20-28)38-26-16-14-12-10-8-6-4-2/h17-24H,3-16,25-26H2,1-2H3
InChIKey OHNSZDZUIKDACG-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C32H46N4O2
Exact Mass 518.362077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8C8Vy7J62E1
Name 1,2,4,5-Tetrazine, 3,6-bis(4-nonyloxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.362076735 u
Formula C32H46N4O2
InChI InChI=1S/C32H46N4O2/c1-3-5-7-9-11-13-15-25-37-29-21-17-27(18-22-29)31-33-35-32(36-34-31)28-19-23-30(24-20-28)38-26-16-14-12-10-8-6-4-2/h17-24H,3-16,25-26H2,1-2H3
InChIKey OHNSZDZUIKDACG-UHFFFAOYSA-N
Molecular Weight 518.746 g/mol
SMILES C1(=NN=C(N=N1)C1=CC=C(C=C1)OCCCCCCCCC)C=1C=CC(=CC1)OCCCCCCCCC