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2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone
SpectraBase Compound ID 1zUprxEYFWf
InChI InChI=1S/C20H20BrN3O2S2/c1-3-20(2)8-13-15(9-26-20)28-18-16(13)17(22)23-19(24-18)27-10-14(25)11-4-6-12(21)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,22,23,24)
InChIKey QIGZGZMTSMIQOX-UHFFFAOYSA-N
Mol Weight 478.42 g/mol
Molecular Formula C20H20BrN3O2S2
Exact Mass 477.018032 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JYeHENEC6KZ
Name 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 477.018032242 u
Formula C20H20BrN3O2S2
InChI InChI=1S/C20H20BrN3O2S2/c1-3-20(2)8-13-15(9-26-20)28-18-16(13)17(22)23-19(24-18)27-10-14(25)11-4-6-12(21)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,22,23,24)
InChIKey QIGZGZMTSMIQOX-UHFFFAOYSA-N
Molecular Weight 478.423 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1337
Solvent DMSO-d6
Source Vendor ID: NMR/12269617