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 Google Search
Mol Weight	467.5 g/mol
Molecular Formula	C26H17N3O4S
Exact Mass	467.093977 g/mol

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SpectraBase Spectrum ID	G4lN6AO5wFY
Name	N-(9,10-dioxo-9,10-dihydro-2-anthracenyl)-N'-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]thiourea
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2544
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D03629; Labnumber: NCOBK-0199; SBI_ID: SBI-002546
Temperature	308 °C