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thiourea, N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)-N'-(3,4,5-trimethoxybenzoyl)-
SpectraBase Compound ID In5JVP6KJCU
InChI InChI=1S/C23H20N4O5S/c1-29-17-11-14(12-18(30-2)19(17)31-3)21(28)27-23(33)25-15-7-4-6-13(10-15)22-26-20-16(32-22)8-5-9-24-20/h4-12H,1-3H3,(H2,25,27,28,33)
InChIKey BKQRMMLYFRFOCM-UHFFFAOYSA-N
Mol Weight 464.5 g/mol
Molecular Formula C23H20N4O5S
Exact Mass 464.115441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JQkbvqSznJP
Name Thiourea, N-(3-oxazolo[4,5-B]pyridin-2-ylphenyl)-N'-(3,4,5-trimethoxybenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.115440929 u
Formula C23H20N4O5S
InChI InChI=1S/C23H20N4O5S/c1-29-17-11-14(12-18(30-2)19(17)31-3)21(28)27-23(33)25-15-7-4-6-13(10-15)22-26-20-16(32-22)8-5-9-24-20/h4-12H,1-3H3,(H2,25,27,28,33)
InChIKey BKQRMMLYFRFOCM-UHFFFAOYSA-N
Molecular Weight 464.496 g/mol
SMILES N(C(NC(C=1C=C(OC)C(=C(C1)OC)OC)=O)=S)C=1C=C(C2=NC3=C(C=CC=N3)O2)C=CC1