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cyclohexanecarboxylic acid, 4-[(7-chloro-1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl]-
SpectraBase Compound ID 54aJc3qyWkY
InChI InChI=1S/C16H17ClN2O3S/c17-11-5-6-12-13(7-11)18-16(23)19(14(12)20)8-9-1-3-10(4-2-9)15(21)22/h5-7,9-10H,1-4,8H2,(H,18,23)(H,21,22)
InChIKey BKRBDTNZOHQYAS-UHFFFAOYSA-N
Mol Weight 352.84 g/mol
Molecular Formula C16H17ClN2O3S
Exact Mass 352.064841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xSSDFVqRrq
Name cyclohexanecarboxylic acid, 4-[(7-chloro-1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)methyl]-
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/C16H17ClN2O3S/c17-11-5-6-12-13(7-11)18-16(23)19(14(12)20)8-9-1-3-10(4-2-9)15(21)22/h5-7,9-10H,1-4,8H2,(H,18,23)(H,21,22)
InChIKey BKRBDTNZOHQYAS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7057
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/10328308