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2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 1bY7zIToWQS
InChI InChI=1S/C27H27ClN2O4/c1-4-32-22-11-16(9-10-21(22)33-15-17-7-5-6-8-19(17)28)24-18(14-29)26(30)34-23-13-27(2,3)12-20(31)25(23)24/h5-11,24H,4,12-13,15,30H2,1-3H3
InChIKey DOKQEQKTNWZLBN-UHFFFAOYSA-N
Mol Weight 478.98 g/mol
Molecular Formula C27H27ClN2O4
Exact Mass 478.165935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1rbzDGqmr7
Name 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-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/C27H27ClN2O4/c1-4-32-22-11-16(9-10-21(22)33-15-17-7-5-6-8-19(17)28)24-18(14-29)26(30)34-23-13-27(2,3)12-20(31)25(23)24/h5-11,24H,4,12-13,15,30H2,1-3H3
InChIKey DOKQEQKTNWZLBN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10705
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: 136289; Labnumber: ULGS5-045; VK_ID: VK-010709
Temperature 318 °C