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2,7-Di(4-chlorophenyloxy)-3,6-di(phenyl)thieno[2,3-d:5,4-d']dipyrimidine-4,5(3H,6H)-dione
SpectraBase Compound ID GF6BDg5UdC1
InChI InChI=1S/C32H18Cl2N4O4S/c33-19-11-15-23(16-12-19)41-31-35-27-25(29(39)37(31)21-7-3-1-4-8-21)26-28(43-27)36-32(42-24-17-13-20(34)14-18-24)38(30(26)40)22-9-5-2-6-10-22/h1-18H
InChIKey KUFUMSIVAKJKAY-UHFFFAOYSA-N
Mol Weight 625.5 g/mol
Molecular Formula C32H18Cl2N4O4S
Exact Mass 624.042582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ptk9HXZX6d
Name 2,7-di(4-Chlorophenyloxy)-3,6-di(phenyl)thieno[2,3-D:5,4-D']dipyrimidine-4,5(3H,6H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.042581646 u
Formula C32H18Cl2N4O4S
InChI InChI=1S/C32H18Cl2N4O4S/c33-19-11-15-23(16-12-19)41-31-35-27-25(29(39)37(31)21-7-3-1-4-8-21)26-28(43-27)36-32(42-24-17-13-20(34)14-18-24)38(30(26)40)22-9-5-2-6-10-22/h1-18H
InChIKey KUFUMSIVAKJKAY-UHFFFAOYSA-N
Molecular Weight 625.486 g/mol
SMILES C=12C3=C(N=C(N(C3=O)C3=CC=CC=C3)OC=3C=CC(=CC3)Cl)SC1N=C(N(C2=O)C=1C=CC=CC1)OC1=CC=C(C=C1)Cl