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acetamide, 2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
SpectraBase Compound ID 9TNAvm8HHrr
InChI InChI=1S/C21H19N7O3S3/c1-2-11-28-19(15-4-3-9-22-13-15)25-26-21(28)33-14-18(29)24-16-5-7-17(8-6-16)34(30,31)27-20-23-10-12-32-20/h2-10,12-13H,1,11,14H2,(H,23,27)(H,24,29)
InChIKey AHXQNWGMZOVMKX-UHFFFAOYSA-N
Mol Weight 513.61 g/mol
Molecular Formula C21H19N7O3S3
Exact Mass 513.071151 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLJvuZCzZdC
Name acetamide, 2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 513.071151019 u
Formula C21H19N7O3S3
InChI InChI=1S/C21H19N7O3S3/c1-2-11-28-19(15-4-3-9-22-13-15)25-26-21(28)33-14-18(29)24-16-5-7-17(8-6-16)34(30,31)27-20-23-10-12-32-20/h2-10,12-13H,1,11,14H2,(H,23,27)(H,24,29)
InChIKey AHXQNWGMZOVMKX-UHFFFAOYSA-N
Molecular Weight 513.609 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14450
Solvent DMSO-d6
Source Vendor ID: NMR/10310304; Lab Info: NKS; Lab Number: NKS-0100031