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acetamide, 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]-
SpectraBase Compound ID Flw8yPvddsY
InChI InChI=1S/C21H17N7O3S3/c1-28-16-5-3-2-4-15(16)18-19(28)24-21(26-25-18)33-12-17(29)23-13-6-8-14(9-7-13)34(30,31)27-20-22-10-11-32-20/h2-11H,12H2,1H3,(H,22,27)(H,23,29)
InChIKey MALPGBGUIOMGKV-UHFFFAOYSA-N
Mol Weight 511.59 g/mol
Molecular Formula C21H17N7O3S3
Exact Mass 511.055501 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IV6BHYcwjB7
Name acetamide, 2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-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 511.055500954 u
Formula C21H17N7O3S3
InChI InChI=1S/C21H17N7O3S3/c1-28-16-5-3-2-4-15(16)18-19(28)24-21(26-25-18)33-12-17(29)23-13-6-8-14(9-7-13)34(30,31)27-20-22-10-11-32-20/h2-11H,12H2,1H3,(H,22,27)(H,23,29)
InChIKey MALPGBGUIOMGKV-UHFFFAOYSA-N
Molecular Weight 511.593 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18362
Solvent DMSO-d6
Source Vendor ID: NMR/11240900; Lab Info: NKS; Lab Number: NKS-0104007