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N-(3-chlorobenzoyl)-N'-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]thiourea

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N-(3-chlorobenzoyl)-N'-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]thiourea
SpectraBase Compound ID JhIkt13rXLs
InChI InChI=1S/C22H18ClN5O2S/c1-13-10-19-20(27-28(26-19)16-6-8-17(30-2)9-7-16)12-18(13)24-22(31)25-21(29)14-4-3-5-15(23)11-14/h3-12H,1-2H3,(H2,24,25,29,31)
InChIKey QMKKRWQLBXAIRY-UHFFFAOYSA-N
Mol Weight 451.93 g/mol
Molecular Formula C22H18ClN5O2S
Exact Mass 451.086974 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7pnPnpOVttm
Name N-(3-chlorobenzoyl)-N'-[2-(4-methoxyphenyl)-6-methyl-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/C22H18ClN5O2S/c1-13-10-19-20(27-28(26-19)16-6-8-17(30-2)9-7-16)12-18(13)24-22(31)25-21(29)14-4-3-5-15(23)11-14/h3-12H,1-2H3,(H2,24,25,29,31)
InChIKey QMKKRWQLBXAIRY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12021
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: D58841; Labnumber: SPMOS1-22306; SBI_ID: SBI-012024
Temperature 306 °C