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2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-isobutyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one

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2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-isobutyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 8aLOkbZqkwl
InChI InChI=1S/C23H25ClN2O3S2/c1-13(2)10-26-21(28)19-16-9-23(3,4)29-11-18(16)31-20(19)25-22(26)30-12-17(27)14-5-7-15(24)8-6-14/h5-8,13H,9-12H2,1-4H3
InChIKey QGBDFFKPKQNOHK-UHFFFAOYSA-N
Mol Weight 477.04 g/mol
Molecular Formula C23H25ClN2O3S2
Exact Mass 476.099513 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZJWVmz79hh
Name 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-isobutyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
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/C23H25ClN2O3S2/c1-13(2)10-26-21(28)19-16-9-23(3,4)29-11-18(16)31-20(19)25-22(26)30-12-17(27)14-5-7-15(24)8-6-14/h5-8,13H,9-12H2,1-4H3
InChIKey QGBDFFKPKQNOHK-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12147
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: 801244; Labnumber: AE95-787; VK_ID: VK-012152
Temperature 318 °C