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methanimidic acid, [4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-2-yl]-, ethyl ester
SpectraBase Compound ID IDNZazNNVC2
InChI InChI=1S/C21H21ClN2O3/c1-4-26-12-24-20-15(11-23)18(13-5-7-14(22)8-6-13)19-16(25)9-21(2,3)10-17(19)27-20/h5-8,12,18H,4,9-10H2,1-3H3/b24-12+
InChIKey RJQMAEBGKFTHQM-WYMPLXKRSA-N
Mol Weight 384.86 g/mol
Molecular Formula C21H21ClN2O3
Exact Mass 384.12407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 47axF0i5yyr
Name methanimidic acid, [4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-2-yl]-, ethyl ester
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/C21H21ClN2O3/c1-4-26-12-24-20-15(11-23)18(13-5-7-14(22)8-6-13)19-16(25)9-21(2,3)10-17(19)27-20/h5-8,12,18H,4,9-10H2,1-3H3/b24-12+
InChIKey RJQMAEBGKFTHQM-WYMPLXKRSA-N
NMR Offset 16.9154
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_6466
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: TSH/5635050; IOH_ID: IOH-013470
Temperature 313 °C