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2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl 2-chlorobenzoate

View entire compound with spectra: 1 NMR

2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl 2-chlorobenzoate
SpectraBase Compound ID 6GadNq1qssn
InChI InChI=1S/C25H21ClN2O4/c1-25(2)11-18(29)22-20(12-25)31-23(28)16(13-27)21(22)15-8-4-6-10-19(15)32-24(30)14-7-3-5-9-17(14)26/h3-10,21H,11-12,28H2,1-2H3
InChIKey MICZJMKXTBYCKM-UHFFFAOYSA-N
Mol Weight 448.91 g/mol
Molecular Formula C25H21ClN2O4
Exact Mass 448.118985 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lkswr0swGf3
Name 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl 2-chlorobenzoate
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/C25H21ClN2O4/c1-25(2)11-18(29)22-20(12-25)31-23(28)16(13-27)21(22)15-8-4-6-10-19(15)32-24(30)14-7-3-5-9-17(14)26/h3-10,21H,11-12,28H2,1-2H3
InChIKey MICZJMKXTBYCKM-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2798
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: NMR/9313095; Labnumber: VUR-0000850