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4-Nitrobenzyl 5-anilino-5-oxopentanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Nitrobenzyl 5-anilino-5-oxopentanoate
SpectraBase Compound ID CCsXr3evdJf
InChI InChI=1S/C18H18N2O5/c21-17(19-15-5-2-1-3-6-15)7-4-8-18(22)25-13-14-9-11-16(12-10-14)20(23)24/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,21)
InChIKey ILONYMVSSNQSRQ-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7L80OEya864
Name pentanoic acid, 5-oxo-5-(phenylamino)-, (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/C18H18N2O5/c21-17(19-15-5-2-1-3-6-15)7-4-8-18(22)25-13-14-9-11-16(12-10-14)20(23)24/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,21)
InChIKey ILONYMVSSNQSRQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5323
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: ZID/5027505; Labnumber: L-23/0002441; IOH_ID: IOH-012326