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2,5,8-Tris(di-n-pentylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole

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2,5,8-Tris(di-n-pentylamino)benzo[1,2-d:3,4-d':5,6-d'']tristhiazole
SpectraBase Compound ID BYnJmYNKj2O
InChI InChI=1S/C39H66N6S3/c1-7-13-19-25-43(26-20-14-8-2)37-40-31-34(46-37)32-36(48-38(41-32)44(27-21-15-9-3)28-22-16-10-4)33-35(31)47-39(42-33)45(29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3
InChIKey YMXHQQYUCOTIDS-UHFFFAOYSA-N
Mol Weight 715.2 g/mol
Molecular Formula C39H66N6S3
Exact Mass 714.45111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0ZLMM1VzFl
Name 2,5,8-Tris(di-N-pentylamino)benzo[1,2-D:3,4-D':5,6-D'']tristhiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 714.451109671 u
Formula C39H66N6S3
InChI InChI=1S/C39H66N6S3/c1-7-13-19-25-43(26-20-14-8-2)37-40-31-34(46-37)32-36(48-38(41-32)44(27-21-15-9-3)28-22-16-10-4)33-35(31)47-39(42-33)45(29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3
InChIKey YMXHQQYUCOTIDS-UHFFFAOYSA-N
Molecular Weight 715.179 g/mol
SMILES C12=C3C(N=C(S3)N(CCCCC)CCCCC)=C3C(=C1SC(=N2)N(CCCCC)CCCCC)N=C(N(CCCCC)CCCCC)S3