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acetic acid, [[3-cyano-5,6,7,8-tetrahydro-4-(4-hydroxyphenyl)-2-quinolinyl]thio]-, 1-methylethyl ester
SpectraBase Compound ID IO9TWtYTaSk
InChI InChI=1S/C21H22N2O3S/c1-13(2)26-19(25)12-27-21-17(11-22)20(14-7-9-15(24)10-8-14)16-5-3-4-6-18(16)23-21/h7-10,13,24H,3-6,12H2,1-2H3
InChIKey VFRQFMWBKZQFJG-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C21H22N2O3S
Exact Mass 382.135114 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JnKMH4gSsUW
Name acetic acid, [[3-cyano-5,6,7,8-tetrahydro-4-(4-hydroxyphenyl)-2-quinolinyl]thio]-, 1-methylethyl 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/C21H22N2O3S/c1-13(2)26-19(25)12-27-21-17(11-22)20(14-7-9-15(24)10-8-14)16-5-3-4-6-18(16)23-21/h7-10,13,24H,3-6,12H2,1-2H3
InChIKey VFRQFMWBKZQFJG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2315
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/9253111; Labnumber: DVD-0000066
Temperature 303 °C