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acetamide, 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]-N-[3-[[2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]-
SpectraBase Compound ID LZmpiDEGcs6
InChI InChI=1S/C17H14ClF3N14O2S2/c18-12-8(26-10(36)3-38-15-30-28-13-32(22)5-24-34(13)15)1-7(17(19,20)21)2-9(12)27-11(37)4-39-16-31-29-14-33(23)6-25-35(14)16/h1-2,5-6H,3-4,22-23H2,(H,26,36)(H,27,37)
InChIKey VYDAOFPIYZWLGJ-UHFFFAOYSA-N
Mol Weight 602.96 g/mol
Molecular Formula C17H14ClF3N14O2S2
Exact Mass 602.05062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dt48wjvAZU
Name acetamide, 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]-N-[3-[[2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H14ClF3N14O2S2/c18-12-8(26-10(36)3-38-15-30-28-13-32(22)5-24-34(13)15)1-7(17(19,20)21)2-9(12)27-11(37)4-39-16-31-29-14-33(23)6-25-35(14)16/h1-2,5-6H,3-4,22-23H2,(H,26,36)(H,27,37)
InChIKey VYDAOFPIYZWLGJ-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_6460
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: L-42/0001919; IOH_ID: IOH-013464