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N-(4-bromophenyl)-2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID LDFzrJJaiLD
InChI InChI=1S/C22H22BrN5OS/c1-3-28-20(12-18-14(2)24-19-7-5-4-6-17(18)19)26-27-22(28)30-13-21(29)25-16-10-8-15(23)9-11-16/h4-11,24H,3,12-13H2,1-2H3,(H,25,29)
InChIKey AEQZGIWZKXVOTQ-UHFFFAOYSA-N
Mol Weight 484.42 g/mol
Molecular Formula C22H22BrN5OS
Exact Mass 483.072845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B6Th1lKenU3
Name N-(4-bromophenyl)-2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.072844521 u
Formula C22H22BrN5OS
InChI InChI=1S/C22H22BrN5OS/c1-3-28-20(12-18-14(2)24-19-7-5-4-6-17(18)19)26-27-22(28)30-13-21(29)25-16-10-8-15(23)9-11-16/h4-11,24H,3,12-13H2,1-2H3,(H,25,29)
InChIKey AEQZGIWZKXVOTQ-UHFFFAOYSA-N
Molecular Weight 484.416 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5892
Solvent DMSO-d6
Source Vendor ID: NMR/12319412