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4-[({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
SpectraBase Compound ID LlTxzIbDVth
InChI InChI=1S/C23H20N4O2S/c1-17-4-10-20(11-5-17)29-15-22-25-26-23(27(22)14-21-3-2-12-28-21)30-16-19-8-6-18(13-24)7-9-19/h2-12H,14-16H2,1H3
InChIKey ZUKURTDUEWURBL-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C23H20N4O2S
Exact Mass 416.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cql3EjMBOZU
Name 4-[({4-(2-furylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzonitrile
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/C23H20N4O2S/c1-17-4-10-20(11-5-17)29-15-22-25-26-23(27(22)14-21-3-2-12-28-21)30-16-19-8-6-18(13-24)7-9-19/h2-12H,14-16H2,1H3
InChIKey ZUKURTDUEWURBL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11097
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: E05811; Labnumber: GRES-10749; SBI_ID: SBI-011100
Temperature 318 °C