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2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

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2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
SpectraBase Compound ID DBBd6iatIX0
InChI InChI=1S/C23H18N6OS/c30-21(17-9-3-1-4-10-17)16-31-23-26-25-22(29(23)18-11-5-2-6-12-18)15-28-20-14-8-7-13-19(20)24-27-28/h1-14H,15-16H2
InChIKey QXUZXLRDMKPMPY-UHFFFAOYSA-N
Mol Weight 426.5 g/mol
Molecular Formula C23H18N6OS
Exact Mass 426.12628 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IzQ3PDofv3j
Name 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
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/C23H18N6OS/c30-21(17-9-3-1-4-10-17)16-31-23-26-25-22(29(23)18-11-5-2-6-12-18)15-28-20-14-8-7-13-19(20)24-27-28/h1-14H,15-16H2
InChIKey QXUZXLRDMKPMPY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3662
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/8101188; UBI_ID: UBI-003663
Temperature 308 °C