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2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID CZQieDKZvCI
InChI InChI=1S/C25H22ClN3O5/c1-25(2)10-19(30)23-21(11-25)34-24(28)17(12-27)22(23)15-5-8-20(18(9-15)29(31)32)33-13-14-3-6-16(26)7-4-14/h3-9,22H,10-11,13,28H2,1-2H3
InChIKey RWUKBJMPVNWTNA-UHFFFAOYSA-N
Mol Weight 479.92 g/mol
Molecular Formula C25H22ClN3O5
Exact Mass 479.124799 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Q4V9HqYHAg
Name 2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-7,7-dimethyl-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/C25H22ClN3O5/c1-25(2)10-19(30)23-21(11-25)34-24(28)17(12-27)22(23)15-5-8-20(18(9-15)29(31)32)33-13-14-3-6-16(26)7-4-14/h3-9,22H,10-11,13,28H2,1-2H3
InChIKey RWUKBJMPVNWTNA-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12539
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/9122919; UBI_ID: UBI-012542
Temperature 313 °C