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2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID uJMSAjVY1Z
InChI InChI=1S/C23H21Cl2N5OS/c1-3-10-30-21(12-17-14(2)26-20-7-5-4-6-16(17)20)28-29-23(30)32-13-22(31)27-15-8-9-18(24)19(25)11-15/h3-9,11,26H,1,10,12-13H2,2H3,(H,27,31)
InChIKey GXFNWDVGICXGJX-UHFFFAOYSA-N
Mol Weight 486.42 g/mol
Molecular Formula C23H21Cl2N5OS
Exact Mass 485.084387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4QEZcDte22z
Name 2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dichlorophenyl)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 485.084386889 u
Formula C23H21Cl2N5OS
InChI InChI=1S/C23H21Cl2N5OS/c1-3-10-30-21(12-17-14(2)26-20-7-5-4-6-16(17)20)28-29-23(30)32-13-22(31)27-15-8-9-18(24)19(25)11-15/h3-9,11,26H,1,10,12-13H2,2H3,(H,27,31)
InChIKey GXFNWDVGICXGJX-UHFFFAOYSA-N
Molecular Weight 486.421 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3195
Solvent DMSO-d6
Source Vendor ID: NMR/12288587