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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide

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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
SpectraBase Compound ID 5EkrhoJR8Vl
InChI InChI=1S/C20H18ClFN4O2S/c1-3-9-26-19(13-5-4-6-15(10-13)28-2)24-25-20(26)29-12-18(27)23-14-7-8-17(22)16(21)11-14/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey MMHKCKMJHAUPMY-UHFFFAOYSA-N
Mol Weight 432.9 g/mol
Molecular Formula C20H18ClFN4O2S
Exact Mass 432.082303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KsB1rmM5awX
Name 2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)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/C20H18ClFN4O2S/c1-3-9-26-19(13-5-4-6-15(10-13)28-2)24-25-20(26)29-12-18(27)23-14-7-8-17(22)16(21)11-14/h3-8,10-11H,1,9,12H2,2H3,(H,23,27)
InChIKey MMHKCKMJHAUPMY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11420
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: E06306; Labnumber: GRES-20195; SBI_ID: SBI-011423
Temperature 308 °C