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N-(1,3-benzodioxol-5-yl)-2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(1,3-benzodioxol-5-yl)-2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID PgoCLLKWnr
InChI InChI=1S/C20H22N6O4S/c1-25-7-6-15(24-25)19-22-23-20(26(19)10-14-3-2-8-28-14)31-11-18(27)21-13-4-5-16-17(9-13)30-12-29-16/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,21,27)
InChIKey WYPOMNVRAJDSCC-UHFFFAOYSA-N
Mol Weight 442.49 g/mol
Molecular Formula C20H22N6O4S
Exact Mass 442.142324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8UY0P7Haft0
Name N-(1,3-benzodioxol-5-yl)-2-{[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-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/C20H22N6O4S/c1-25-7-6-15(24-25)19-22-23-20(26(19)10-14-3-2-8-28-14)31-11-18(27)21-13-4-5-16-17(9-13)30-12-29-16/h4-7,9,14H,2-3,8,10-12H2,1H3,(H,21,27)
InChIKey WYPOMNVRAJDSCC-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10600
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/1031598; Labnumber: KUZ0450; UZI_ID: UZI-010602
Temperature 308 °C