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2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 3iqcN4rKvH4
InChI InChI=1S/C23H18ClN3O5/c24-15-7-4-13(5-8-15)12-31-19-9-6-14(10-17(19)27(29)30)21-16(11-25)23(26)32-20-3-1-2-18(28)22(20)21/h4-10,21H,1-3,12,26H2
InChIKey RXUIOUUWWLAYKE-UHFFFAOYSA-N
Mol Weight 451.87 g/mol
Molecular Formula C23H18ClN3O5
Exact Mass 451.093498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 48nIo1qbp8K
Name 2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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/C23H18ClN3O5/c24-15-7-4-13(5-8-15)12-31-19-9-6-14(10-17(19)27(29)30)21-16(11-25)23(26)32-20-3-1-2-18(28)22(20)21/h4-10,21H,1-3,12,26H2
InChIKey RXUIOUUWWLAYKE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12656
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/9124092; UBI_ID: UBI-012659
Temperature 313 °C