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2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID H3wmMwT3QVD
InChI InChI=1S/C27H21N7OS/c35-26(28-22-15-8-10-19-9-4-5-13-21(19)22)18-36-27-31-30-25(34(27)20-11-2-1-3-12-20)17-33-24-16-7-6-14-23(24)29-32-33/h1-16H,17-18H2,(H,28,35)
InChIKey CLMRWWPCXGCYJR-UHFFFAOYSA-N
Mol Weight 491.57 g/mol
Molecular Formula C27H21N7OS
Exact Mass 491.152829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3QujwPmDDEz
Name 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)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/C27H21N7OS/c35-26(28-22-15-8-10-19-9-4-5-13-21(19)22)18-36-27-31-30-25(34(27)20-11-2-1-3-12-20)17-33-24-16-7-6-14-23(24)29-32-33/h1-16H,17-18H2,(H,28,35)
InChIKey CLMRWWPCXGCYJR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2528
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/8053983; UBI_ID: UBI-002529
Temperature 306 °C