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3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SpectraBase Compound ID LkZPBYlX7zp
InChI InChI=1S/C21H20BrN3O3/c1-13-20(22)14(2)25(24-13)12-15-4-3-5-16(10-15)21(26)23-17-6-7-18-19(11-17)28-9-8-27-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,26)
InChIKey IJZHSYTVWPGMQO-UHFFFAOYSA-N
Mol Weight 442.31 g/mol
Molecular Formula C21H20BrN3O3
Exact Mass 441.068805 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DaFwAlsFPT5
Name 3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-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/C21H20BrN3O3/c1-13-20(22)14(2)25(24-13)12-15-4-3-5-16(10-15)21(26)23-17-6-7-18-19(11-17)28-9-8-27-18/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,26)
InChIKey IJZHSYTVWPGMQO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29888
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: 1384461; SBI_ID: SBI-029892
Temperature 318 °C