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N-(4-bromophenyl)-2-{[6-methyl-4-oxo-3-(3-pyridinylmethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID JwWb7XNwceN
InChI InChI=1S/C21H17BrN4O2S2/c1-13-9-17-19(30-13)25-21(26(20(17)28)11-14-3-2-8-23-10-14)29-12-18(27)24-16-6-4-15(22)5-7-16/h2-10H,11-12H2,1H3,(H,24,27)
InChIKey MVXVRTPIXCNFAY-UHFFFAOYSA-N
Mol Weight 501.42 g/mol
Molecular Formula C21H17BrN4O2S2
Exact Mass 499.997631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1EWjxKxo6Yp
Name N-(4-bromophenyl)-2-{[6-methyl-4-oxo-3-(3-pyridinylmethyl)-3,4-dihydrothieno[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/C21H17BrN4O2S2/c1-13-9-17-19(30-13)25-21(26(20(17)28)11-14-3-2-8-23-10-14)29-12-18(27)24-16-6-4-15(22)5-7-16/h2-10H,11-12H2,1H3,(H,24,27)
InChIKey MVXVRTPIXCNFAY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8062
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: UZI/1270032; Labnumber: COL6702; UZI_ID: UZI-008064
Temperature 318 °C