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N-[3-(acetylamino)phenyl]-2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID A4kxOzDTE4J
InChI InChI=1S/C25H23IN6O2S/c1-17(33)28-20-6-5-7-21(14-20)29-24(34)16-35-25-31-30-23(32(25)22-8-3-2-4-9-22)15-27-19-12-10-18(26)11-13-19/h2-14,27H,15-16H2,1H3,(H,28,33)(H,29,34)
InChIKey VYFWITUVECGUTO-UHFFFAOYSA-N
Mol Weight 598.46 g/mol
Molecular Formula C25H23IN6O2S
Exact Mass 598.06479 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3nTjdSvgmKe
Name N-[3-(acetylamino)phenyl]-2-({5-[(4-iodoanilino)methyl]-4-phenyl-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/C25H23IN6O2S/c1-17(33)28-20-6-5-7-21(14-20)29-24(34)16-35-25-31-30-23(32(25)22-8-3-2-4-9-22)15-27-19-12-10-18(26)11-13-19/h2-14,27H,15-16H2,1H3,(H,28,33)(H,29,34)
InChIKey VYFWITUVECGUTO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3601
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/8096411; UBI_ID: UBI-003602
Temperature 308 °C