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N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]thiourea

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N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]thiourea
SpectraBase Compound ID 2KevfctwQzP
InChI InChI=1S/C26H17N3O4S/c1-14-21(22(29-33-14)15-7-3-2-4-8-15)25(32)28-26(34)27-16-11-12-19-20(13-16)24(31)18-10-6-5-9-17(18)23(19)30/h2-13H,1H3,(H2,27,28,32,34)
InChIKey KRAYWRGOMCAOQG-UHFFFAOYSA-N
Mol Weight 467.5 g/mol
Molecular Formula C26H17N3O4S
Exact Mass 467.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uaabjSHSh2
Name N-(9,10-Dioxo-9,10-dihydro-2-anthracenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]thiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.093977209 u
Formula C26H17N3O4S
InChI InChI=1S/C26H17N3O4S/c1-14-21(22(29-33-14)15-7-3-2-4-8-15)25(32)28-26(34)27-16-11-12-19-20(13-16)24(31)18-10-6-5-9-17(18)23(19)30/h2-13H,1H3,(H2,27,28,32,34)
InChIKey KRAYWRGOMCAOQG-UHFFFAOYSA-N
Molecular Weight 467.499 g/mol
SMILES N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)C(NC1=CC=2C(C=3C=CC=CC3C(C2C=C1)=O)=O)=S