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4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile

View entire compound with spectra: 1 NMR

4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID FTMevEraU8m
InChI InChI=1S/C14H9F3N4OS/c1-7-8(6-18)13(11(22)19-7,14(15,16)17)21-12-20-9-4-2-3-5-10(9)23-12/h2-5H,1H3,(H,19,22)(H,20,21)
InChIKey CDTRPYLMBNUZOW-UHFFFAOYSA-N
Mol Weight 338.31 g/mol
Molecular Formula C14H9F3N4OS
Exact Mass 338.044917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9PKKRSu2eTD
Name 4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
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/C14H9F3N4OS/c1-7-8(6-18)13(11(22)19-7,14(15,16)17)21-12-20-9-4-2-3-5-10(9)23-12/h2-5H,1H3,(H,19,22)(H,20,21)
InChIKey CDTRPYLMBNUZOW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5720
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: D23574; Labnumber: SOK-1561; SBI_ID: SBI-005723
Temperature 318 °C