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phenol, 4-[(E)-[(4-methylphenyl)imino]methyl]-, 3,5-dinitrobenzoate (ester)
SpectraBase Compound ID CLmqQ7O101U
InChI InChI=1S/C21H15N3O6/c1-14-2-6-17(7-3-14)22-13-15-4-8-20(9-5-15)30-21(25)16-10-18(23(26)27)12-19(11-16)24(28)29/h2-13H,1H3/b22-13+
InChIKey BUZFTGYLEIMQRK-LPYMAVHISA-N
Mol Weight 405.37 g/mol
Molecular Formula C21H15N3O6
Exact Mass 405.096085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6J8CMPownHO
Name phenol, 4-[(E)-[(4-methylphenyl)imino]methyl]-, 3,5-dinitrobenzoate (ester)
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/C21H15N3O6/c1-14-2-6-17(7-3-14)22-13-15-4-8-20(9-5-15)30-21(25)16-10-18(23(26)27)12-19(11-16)24(28)29/h2-13H,1H3/b22-13+
InChIKey BUZFTGYLEIMQRK-LPYMAVHISA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5304
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: AG-205/5026342; Labnumber: LD-20762; IOH_ID: IOH-012307