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2-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5-isopropyl-3-thiophenecarboxamide
SpectraBase Compound ID 5Z5NEiHbRJn
InChI InChI=1S/C21H23N5O4S/c1-11(2)17-9-16(19(22)27)21(31-17)23-20(28)15-7-5-6-14(8-15)10-25-13(4)18(26(29)30)12(3)24-25/h5-9,11H,10H2,1-4H3,(H2,22,27)(H,23,28)
InChIKey NPEOGBSOQKVVJB-UHFFFAOYSA-N
Mol Weight 441.51 g/mol
Molecular Formula C21H23N5O4S
Exact Mass 441.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vAg6nPVcM9
Name 2-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5-isopropyl-3-thiophenecarboxamide
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/C21H23N5O4S/c1-11(2)17-9-16(19(22)27)21(31-17)23-20(28)15-7-5-6-14(8-15)10-25-13(4)18(26(29)30)12(3)24-25/h5-9,11H,10H2,1-4H3,(H2,22,27)(H,23,28)
InChIKey NPEOGBSOQKVVJB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16997
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/1026296; Labnumber: SAP5129; UZI_ID: UZI-017001
Temperature 308 °C