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N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(3-chloro-2-hydroxy-5-nitrophenyl)thiourea
SpectraBase Compound ID BUEsaFd0Q7
InChI InChI=1S/C25H21ClN4O4S/c1-14-15(2)29(13-16-6-4-3-5-7-16)22-9-8-17(10-19(14)22)24(32)28-25(35)27-21-12-18(30(33)34)11-20(26)23(21)31/h3-12,31H,13H2,1-2H3,(H2,27,28,32,35)
InChIKey BZXAFXGECQFYNH-UHFFFAOYSA-N
Mol Weight 508.98 g/mol
Molecular Formula C25H21ClN4O4S
Exact Mass 508.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3FHt4EFlXzS
Name N-[(1-benzyl-2,3-dimethyl-1H-indol-5-yl)carbonyl]-N'-(3-chloro-2-hydroxy-5-nitrophenyl)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/C25H21ClN4O4S/c1-14-15(2)29(13-16-6-4-3-5-7-16)22-9-8-17(10-19(14)22)24(32)28-25(35)27-21-12-18(30(33)34)11-20(26)23(21)31/h3-12,31H,13H2,1-2H3,(H2,27,28,32,35)
InChIKey BZXAFXGECQFYNH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8998
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: 1001598; UBI_ID: UBI-009001
Temperature 313 °C