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acetamide, 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]-N-[4-[5-[[2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]acetyl]amino]-2-benzoxazolyl]phenyl]-
SpectraBase Compound ID Lnkynn3vGHb
InChI InChI=1S/C23H19N15O3S2/c24-35-10-26-37-20(35)31-33-22(37)42-8-17(39)28-13-3-1-12(2-4-13)19-30-15-7-14(5-6-16(15)41-19)29-18(40)9-43-23-34-32-21-36(25)11-27-38(21)23/h1-7,10-11H,8-9,24-25H2,(H,28,39)(H,29,40)
InChIKey UAVOQOKWNSDTOX-UHFFFAOYSA-N
Mol Weight 617.63 g/mol
Molecular Formula C23H19N15O3S2
Exact Mass 617.123672 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9lPhDVytJNE
Name acetamide, 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]-N-[4-[5-[[2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]acetyl]amino]-2-benzoxazolyl]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/C23H19N15O3S2/c24-35-10-26-37-20(35)31-33-22(37)42-8-17(39)28-13-3-1-12(2-4-13)19-30-15-7-14(5-6-16(15)41-19)29-18(40)9-43-23-34-32-21-36(25)11-27-38(21)23/h1-7,10-11H,8-9,24-25H2,(H,28,39)(H,29,40)
InChIKey UAVOQOKWNSDTOX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6642
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-42/0001968; IOH_ID: IOH-013646