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4H-pyran-3-carboxylic acid, 6-amino-4-(4-chloro-3-nitrophenyl)-5-cyano-2-phenyl-, ethyl ester
SpectraBase Compound ID KmLkEgb1TVL
InChI InChI=1S/C21H16ClN3O5/c1-2-29-21(26)18-17(13-8-9-15(22)16(10-13)25(27)28)14(11-23)20(24)30-19(18)12-6-4-3-5-7-12/h3-10,17H,2,24H2,1H3
InChIKey HNTQFSZKCMHZOG-UHFFFAOYSA-N
Mol Weight 425.83 g/mol
Molecular Formula C21H16ClN3O5
Exact Mass 425.077848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LA0aDAtXfbG
Name 4H-pyran-3-carboxylic acid, 6-amino-4-(4-chloro-3-nitrophenyl)-5-cyano-2-phenyl-, ethyl 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/C21H16ClN3O5/c1-2-29-21(26)18-17(13-8-9-15(22)16(10-13)25(27)28)14(11-23)20(24)30-19(18)12-6-4-3-5-7-12/h3-10,17H,2,24H2,1H3
InChIKey HNTQFSZKCMHZOG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1079
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: 63TSH0.195; IOH_ID: IOH-008081