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2-(benzylsulfanyl)-3-(4-bromophenyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID HLJ4nXml3al
InChI InChI=1S/C24H21BrN2O2S2/c1-24(2)12-18-19(13-29-24)31-21-20(18)22(28)27(17-10-8-16(25)9-11-17)23(26-21)30-14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKey VIHISZUDCNEHNH-UHFFFAOYSA-N
Mol Weight 513.47 g/mol
Molecular Formula C24H21BrN2O2S2
Exact Mass 512.022783 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86KZ4f6ave7
Name 2-(benzylsulfanyl)-3-(4-bromophenyl)-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/C24H21BrN2O2S2/c1-24(2)12-18-19(13-29-24)31-21-20(18)22(28)27(17-10-8-16(25)9-11-17)23(26-21)30-14-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3
InChIKey VIHISZUDCNEHNH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12195
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: 801127; Labnumber: AE95-634; VK_ID: VK-012200
Temperature 308 °C