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1-{[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-1H-1,2,3-benzotriazole

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1-{[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-1H-1,2,3-benzotriazole
SpectraBase Compound ID BiLo7UtlI6q
InChI InChI=1S/C22H18N6S/c1-3-9-17(10-4-1)16-29-22-25-24-21(28(22)18-11-5-2-6-12-18)15-27-20-14-8-7-13-19(20)23-26-27/h1-14H,15-16H2
InChIKey ITZUHVKGTFNOOJ-UHFFFAOYSA-N
Mol Weight 398.49 g/mol
Molecular Formula C22H18N6S
Exact Mass 398.131366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EiRf2bLfB7V
Name 1-{[5-(benzylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-1H-1,2,3-benzotriazole
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/C22H18N6S/c1-3-9-17(10-4-1)16-29-22-25-24-21(28(22)18-11-5-2-6-12-18)15-27-20-14-8-7-13-19(20)23-26-27/h1-14H,15-16H2
InChIKey ITZUHVKGTFNOOJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3299
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/8086373; UBI_ID: UBI-003300
Synonyms 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl benzyl sulfide
Temperature 308 °C