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N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 2y94t9ajOZ
InChI InChI=1S/C27H20BrClF3N5O5/c1-41-18-6-2-14(3-7-18)21-13-22(27(30,31)32)36-25(34-21)23(29)24(35-36)26(38)33-16-10-17(37(39)40)12-20(11-16)42-19-8-4-15(28)5-9-19/h2-12,21-22,34H,13H2,1H3,(H,33,38)
InChIKey BETFYNBAUVZZSY-UHFFFAOYSA-N
Mol Weight 666.84 g/mol
Molecular Formula C27H20BrClF3N5O5
Exact Mass 665.028844 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWzgR582EsW
Name N-[3-(4-bromophenoxy)-5-nitrophenyl]-3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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/C27H20BrClF3N5O5/c1-41-18-6-2-14(3-7-18)21-13-22(27(30,31)32)36-25(34-21)23(29)24(35-36)26(38)33-16-10-17(37(39)40)12-20(11-16)42-19-8-4-15(28)5-9-19/h2-12,21-22,34H,13H2,1H3,(H,33,38)
InChIKey BETFYNBAUVZZSY-UHFFFAOYSA-N
NMR Offset 15.3255
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11340
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: UZI/9088276; UBI_ID: UBI-011343
Temperature 318 °C