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2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester

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2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoro-propionic acid methyl ester
SpectraBase Compound ID 9mpyzjOabY
InChI InChI=1S/C19H13Cl3F3N3O3S/c1-8-11(21)5-6-13-14(8)26-17(32-13)28-18(16(30)31-2,19(23,24)25)27-15(29)10-4-3-9(20)7-12(10)22/h3-7H,1-2H3,(H,26,28)(H,27,29)
InChIKey PPWIGKGDDWSYKO-UHFFFAOYSA-N
Mol Weight 526.75 g/mol
Molecular Formula C19H13Cl3F3N3O3S
Exact Mass 524.96953 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5xTeTBaC9kX
Name methyl 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-[(2,4-dichlorobenzoyl)amino]-3,3,3-trifluoropropanoate
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/C19H13Cl3F3N3O3S/c1-8-11(21)5-6-13-14(8)26-17(32-13)28-18(16(30)31-2,19(23,24)25)27-15(29)10-4-3-9(20)7-12(10)22/h3-7H,1-2H3,(H,26,28)(H,27,29)
InChIKey PPWIGKGDDWSYKO-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_422
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: C27097; Labnumber: SOK-1014; SBI_ID: SBI-000424
Temperature 308 °C