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

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N-(3-methoxy-5-nitrophenyl)-2-{[5-[(5-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID HSRSUO76ZYe
InChI InChI=1S/C21H25N7O5S/c1-14-5-6-22-27(14)12-19-24-25-21(26(19)11-17-4-3-7-33-17)34-13-20(29)23-15-8-16(28(30)31)10-18(9-15)32-2/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3,(H,23,29)
InChIKey RMHVSAVXORWQBE-UHFFFAOYSA-N
Mol Weight 487.54 g/mol
Molecular Formula C21H25N7O5S
Exact Mass 487.163788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 799zVlwxzbN
Name N-(3-methoxy-5-nitrophenyl)-2-{[5-[(5-methyl-1H-pyrazol-1-yl)methyl]-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/C21H25N7O5S/c1-14-5-6-22-27(14)12-19-24-25-21(26(19)11-17-4-3-7-33-17)34-13-20(29)23-15-8-16(28(30)31)10-18(9-15)32-2/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3,(H,23,29)
InChIKey RMHVSAVXORWQBE-UHFFFAOYSA-N
NMR Offset 18.0362
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29880
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: 1357494; SBI_ID: SBI-029884
Temperature 318 °C