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N-(4-acetylphenyl)-2-({4-ethyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID HPNesVpifpn
InChI InChI=1S/C24H25N5O2S/c1-4-29-22(13-20-15(2)25-21-8-6-5-7-19(20)21)27-28-24(29)32-14-23(31)26-18-11-9-17(10-12-18)16(3)30/h5-12,25H,4,13-14H2,1-3H3,(H,26,31)
InChIKey JQYDAPPRGJKHGY-UHFFFAOYSA-N
Mol Weight 447.56 g/mol
Molecular Formula C24H25N5O2S
Exact Mass 447.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9MTzy9WfrV0
Name N-(4-acetylphenyl)-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 447.172896237 u
Formula C24H25N5O2S
InChI InChI=1S/C24H25N5O2S/c1-4-29-22(13-20-15(2)25-21-8-6-5-7-19(20)21)27-28-24(29)32-14-23(31)26-18-11-9-17(10-12-18)16(3)30/h5-12,25H,4,13-14H2,1-3H3,(H,26,31)
InChIKey JQYDAPPRGJKHGY-UHFFFAOYSA-N
Molecular Weight 447.557 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5896
Solvent DMSO-d6
Source Vendor ID: NMR/12319416