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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(tert-butyl)acetamide
SpectraBase Compound ID BQW5NXCwqRI
InChI InChI=1S/C18H24IN5OS/c1-5-10-24-15(11-20-14-8-6-13(19)7-9-14)22-23-17(24)26-12-16(25)21-18(2,3)4/h5-9,20H,1,10-12H2,2-4H3,(H,21,25)
InChIKey RVSYOGGVJQJJSG-UHFFFAOYSA-N
Mol Weight 485.39 g/mol
Molecular Formula C18H24IN5OS
Exact Mass 485.074627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 29rYf3bRBjw
Name 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(tert-butyl)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/C18H24IN5OS/c1-5-10-24-15(11-20-14-8-6-13(19)7-9-14)22-23-17(24)26-12-16(25)21-18(2,3)4/h5-9,20H,1,10-12H2,2-4H3,(H,21,25)
InChIKey RVSYOGGVJQJJSG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5101
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/8148105; UBI_ID: UBI-005103
Temperature 308 °C