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4-(5,6-dimethyl-4-oxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-2-yl)phenyl 4-chlorobenzoate
SpectraBase Compound ID C60CjzXlBEp
InChI InChI=1S/C21H17ClN2O3S/c1-11-12(2)28-20-17(11)19(25)23-18(24-20)13-5-9-16(10-6-13)27-21(26)14-3-7-15(22)8-4-14/h3-10,18,24H,1-2H3,(H,23,25)
InChIKey IYZAMURHLJOVIC-UHFFFAOYSA-N
Mol Weight 412.89 g/mol
Molecular Formula C21H17ClN2O3S
Exact Mass 412.064841 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kncqjz9zZ2l
Name 4-(5,6-dimethyl-4-oxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-2-yl)phenyl 4-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/C21H17ClN2O3S/c1-11-12(2)28-20-17(11)19(25)23-18(24-20)13-5-9-16(10-6-13)27-21(26)14-3-7-15(22)8-4-14/h3-10,18,24H,1-2H3,(H,23,25)
InChIKey IYZAMURHLJOVIC-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_6259
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 62742; UBI_ID: UBI-006261
Temperature 318 °C