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2-amino-4-{4-[(4-methylbenzyl)oxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID A85HVZUenkt
InChI InChI=1S/C24H21N3O5/c1-14-5-7-15(8-6-14)13-31-20-10-9-16(11-18(20)27(29)30)22-17(12-25)24(26)32-21-4-2-3-19(28)23(21)22/h5-11,22H,2-4,13,26H2,1H3
InChIKey KYKYKVNTCCZTMB-UHFFFAOYSA-N
Mol Weight 431.45 g/mol
Molecular Formula C24H21N3O5
Exact Mass 431.148121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJ9XmwV9iGV
Name 2-amino-4-{4-[(4-methylbenzyl)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/C24H21N3O5/c1-14-5-7-15(8-6-14)13-31-20-10-9-16(11-18(20)27(29)30)22-17(12-25)24(26)32-21-4-2-3-19(28)23(21)22/h5-11,22H,2-4,13,26H2,1H3
InChIKey KYKYKVNTCCZTMB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18427
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/9123217; UBI_ID: UBI-018430
Temperature 313 °C