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3-bromo-4-ethoxy-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide
SpectraBase Compound ID 5OQ3Mg6X1b2
InChI InChI=1S/C22H16BrF3N4O2/c1-2-32-20-9-6-13(10-17(20)23)21(31)27-15-7-8-18-19(12-15)29-30(28-18)16-5-3-4-14(11-16)22(24,25)26/h3-12H,2H2,1H3,(H,27,31)
InChIKey JXLZIKRCRCYIPM-UHFFFAOYSA-N
Mol Weight 505.3 g/mol
Molecular Formula C22H16BrF3N4O2
Exact Mass 504.040873 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ZpyTGe9s3Z
Name 3-bromo-4-ethoxy-N-{2-[3-(trifluoromethyl)phenyl]-2H-1,2,3-benzotriazol-5-yl}benzamide
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/C22H16BrF3N4O2/c1-2-32-20-9-6-13(10-17(20)23)21(31)27-15-7-8-18-19(12-15)29-30(28-18)16-5-3-4-14(11-16)22(24,25)26/h3-12H,2H2,1H3,(H,27,31)
InChIKey JXLZIKRCRCYIPM-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1460
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: NMR/9278911; Labnumber: BAS1066786
Temperature 297 °C