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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2-phenylethyl)-
SpectraBase Compound ID I44NfDrZq5X
InChI InChI=1S/C18H17BrFN5O/c19-14-7-6-13(15(20)10-14)11-25-17(21)16(23-24-25)18(26)22-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,21H2,(H,22,26)
InChIKey XZXBWQMGGVLSDP-UHFFFAOYSA-N
Mol Weight 418.27 g/mol
Molecular Formula C18H17BrFN5O
Exact Mass 417.060051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GCfuRhQQoKj
Name 1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2-phenylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.060051349 u
Formula C18H17BrFN5O
InChI InChI=1S/C18H17BrFN5O/c19-14-7-6-13(15(20)10-14)11-25-17(21)16(23-24-25)18(26)22-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11,21H2,(H,22,26)
InChIKey XZXBWQMGGVLSDP-UHFFFAOYSA-N
Molecular Weight 418.270 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4322
Solvent DMSO-d6
Source Vendor ID: NMR/13279898