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3-allyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LrWV6Rzb1Mv
InChI InChI=1S/C19H17BrN2O2S2/c1-4-9-22-18(24)16-11(2)12(3)26-17(16)21-19(22)25-10-15(23)13-5-7-14(20)8-6-13/h4-8H,1,9-10H2,2-3H3
InChIKey JPTVFYSPVCWMQH-UHFFFAOYSA-N
Mol Weight 449.38 g/mol
Molecular Formula C19H17BrN2O2S2
Exact Mass 447.991483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HAoQtAl4mVm
Name 3-allyl-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-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/C19H17BrN2O2S2/c1-4-9-22-18(24)16-11(2)12(3)26-17(16)21-19(22)25-10-15(23)13-5-7-14(20)8-6-13/h4-8H,1,9-10H2,2-3H3
InChIKey JPTVFYSPVCWMQH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20711
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: D17418; Labnumber: Tolk-0133; SBI_ID: SBI-020715
Temperature 315 °C