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N-(3-bromo-4-methoxybenzoyl)-N'-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea

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N-(3-bromo-4-methoxybenzoyl)-N'-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]thiourea
SpectraBase Compound ID J6qvtgctKiy
InChI InChI=1S/C22H18BrN5O2S/c1-13-3-7-16(8-4-13)28-26-18-9-6-15(12-19(18)27-28)24-22(31)25-21(29)14-5-10-20(30-2)17(23)11-14/h3-12H,1-2H3,(H2,24,25,29,31)
InChIKey PIQZAGQASKDBPY-UHFFFAOYSA-N
Mol Weight 496.38 g/mol
Molecular Formula C22H18BrN5O2S
Exact Mass 495.036459 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9d2P1LyztR2
Name N-(3-bromo-4-methoxybenzoyl)-N'-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]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/C22H18BrN5O2S/c1-13-3-7-16(8-4-13)28-26-18-9-6-15(12-19(18)27-28)24-22(31)25-21(29)14-5-10-20(30-2)17(23)11-14/h3-12H,1-2H3,(H2,24,25,29,31)
InChIKey PIQZAGQASKDBPY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26597
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: D63624; Labnumber: SPMOS1-22689; SBI_ID: SBI-026601
Temperature 315 °C