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3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]benzamide
SpectraBase Compound ID 5Be361JJG6n
InChI InChI=1S/C28H27N5O6/c1-16-9-17(2)18(3)26(10-16)39-25-13-23(12-24(14-25)32(35)36)29-28(34)22-8-6-7-21(11-22)15-31-20(5)27(33(37)38)19(4)30-31/h6-14H,15H2,1-5H3,(H,29,34)
InChIKey SZCMECYWKLMUML-UHFFFAOYSA-N
Mol Weight 529.55 g/mol
Molecular Formula C28H27N5O6
Exact Mass 529.196134 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D4WYyguAzuB
Name 3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]benzamide
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/C28H27N5O6/c1-16-9-17(2)18(3)26(10-16)39-25-13-23(12-24(14-25)32(35)36)29-28(34)22-8-6-7-21(11-22)15-31-20(5)27(33(37)38)19(4)30-31/h6-14H,15H2,1-5H3,(H,29,34)
InChIKey SZCMECYWKLMUML-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16995
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/1026608; Labnumber: SAP5127; UZI_ID: UZI-016999
Temperature 308 °C