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2-{[3-(4-methoxyphenyl)-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

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2-{[3-(4-methoxyphenyl)-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 5tgKSLNO9jT
InChI InChI=1S/C21H22N4O4S/c1-21(2)9-16-12(10-29-21)8-15-18(23-16)24-20(30-11-17(22)26)25(19(15)27)13-4-6-14(28-3)7-5-13/h4-8H,9-11H2,1-3H3,(H2,22,26)
InChIKey QKEPLRORCNJEDJ-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C21H22N4O4S
Exact Mass 426.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3hi82DRdIS5
Name 2-{[3-(4-methoxyphenyl)-8,8-dimethyl-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
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/C21H22N4O4S/c1-21(2)9-16-12(10-29-21)8-15-18(23-16)24-20(30-11-17(22)26)25(19(15)27)13-4-6-14(28-3)7-5-13/h4-8H,9-11H2,1-3H3,(H2,22,26)
InChIKey QKEPLRORCNJEDJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12272
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: 801325; Labnumber: AE95-874; VK_ID: VK-012277
Temperature 313 °C