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N-(3-chloro-4-methoxyphenyl)-2-{[5-(2-fluorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID IeVwg1oalbs
InChI InChI=1S/C22H18ClFN4O3S/c1-30-19-9-8-14(11-17(19)23)25-20(29)13-32-22-27-26-21(16-6-2-3-7-18(16)24)28(22)12-15-5-4-10-31-15/h2-11H,12-13H2,1H3,(H,25,29)
InChIKey QINABNDLGCTNCW-UHFFFAOYSA-N
Mol Weight 472.92 g/mol
Molecular Formula C22H18ClFN4O3S
Exact Mass 472.077217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Gq3Wgeyu44
Name N-(3-chloro-4-methoxyphenyl)-2-{[5-(2-fluorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C22H18ClFN4O3S/c1-30-19-9-8-14(11-17(19)23)25-20(29)13-32-22-27-26-21(16-6-2-3-7-18(16)24)28(22)12-15-5-4-10-31-15/h2-11H,12-13H2,1H3,(H,25,29)
InChIKey QINABNDLGCTNCW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11287
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: E06587; Labnumber: GRES-25399; SBI_ID: SBI-011290
Temperature 308 °C