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thiourea, N-(3-bromobenzoyl)-N'-(4-oxazolo[4,5-b]pyridin-2-ylphenyl)-
SpectraBase Compound ID BDF1TsAX47n
InChI InChI=1S/C20H13BrN4O2S/c21-14-4-1-3-13(11-14)18(26)25-20(28)23-15-8-6-12(7-9-15)19-24-17-16(27-19)5-2-10-22-17/h1-11H,(H2,23,25,26,28)
InChIKey ORHQGXUQOGRXQP-UHFFFAOYSA-N
Mol Weight 453.31 g/mol
Molecular Formula C20H13BrN4O2S
Exact Mass 451.99426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hdNB1QzDeF
Name Thiourea, N-(3-bromobenzoyl)-N'-(4-oxazolo[4,5-B]pyridin-2-ylphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 451.994259847 u
Formula C20H13BrN4O2S
InChI InChI=1S/C20H13BrN4O2S/c21-14-4-1-3-13(11-14)18(26)25-20(28)23-15-8-6-12(7-9-15)19-24-17-16(27-19)5-2-10-22-17/h1-11H,(H2,23,25,26,28)
InChIKey ORHQGXUQOGRXQP-UHFFFAOYSA-N
Molecular Weight 453.314 g/mol
SMILES N(C(NC(C=1C=C(Br)C=CC1)=O)=S)C1=CC=C(C2=NC3=C(C=CC=N3)O2)C=C1