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N-{3-hydroxy-4-[6-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-1,3-benzoxazol-2-yl]phenyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

View entire compound with spectra: 2 NMR

N-{3-hydroxy-4-[6-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-1,3-benzoxazol-2-yl]phenyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID FAUWizwH632
InChI InChI=1S/C23H21N9O4S2/c1-31-11-24-29-22(31)37-9-19(34)26-13-3-5-15(17(33)7-13)21-28-16-6-4-14(8-18(16)36-21)27-20(35)10-38-23-30-25-12-32(23)2/h3-8,11-12,33H,9-10H2,1-2H3,(H,26,34)(H,27,35)
InChIKey DPQLNGDLHNEWMF-UHFFFAOYSA-N
Mol Weight 551.6 g/mol
Molecular Formula C23H21N9O4S2
Exact Mass 551.115793 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZRgggjbufA
Name N-{3-hydroxy-4-[6-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-1,3-benzoxazol-2-yl]phenyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
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/C23H21N9O4S2/c1-31-11-24-29-22(31)37-9-19(34)26-13-3-5-15(17(33)7-13)21-28-16-6-4-14(8-18(16)36-21)27-20(35)10-38-23-30-25-12-32(23)2/h3-8,11-12,33H,9-10H2,1-2H3,(H,26,34)(H,27,35)
InChIKey DPQLNGDLHNEWMF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16620
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: UZI/8148589; UBI_ID: UBI-016623
Temperature 318 °C