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benzoic acid, 4-(3,4-dicyanophenoxy)-, (4-nitrophenyl)methyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-(3,4-dicyanophenoxy)-, (4-nitrophenyl)methyl ester
SpectraBase Compound ID 5307rwOhmya
InChI InChI=1S/C22H13N3O5/c23-12-17-5-10-21(11-18(17)13-24)30-20-8-3-16(4-9-20)22(26)29-14-15-1-6-19(7-2-15)25(27)28/h1-11H,14H2
InChIKey ZKTPCTAXBIUACO-UHFFFAOYSA-N
Mol Weight 399.36 g/mol
Molecular Formula C22H13N3O5
Exact Mass 399.085521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Do7wzLlOzb8
Name benzoic acid, 4-(3,4-dicyanophenoxy)-, (4-nitrophenyl)methyl 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/C22H13N3O5/c23-12-17-5-10-21(11-18(17)13-24)30-20-8-3-16(4-9-20)22(26)29-14-15-1-6-19(7-2-15)25(27)28/h1-11H,14H2
InChIKey ZKTPCTAXBIUACO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2984
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: NMR/11241020; Labnumber: AI-S001497