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1-(4-bromophenyl)-2-{[7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}ethanone
SpectraBase Compound ID IJzLA7nEbB0
InChI InChI=1S/C23H25BrN2O2S2/c1-23(2,3)14-7-10-16-18(11-14)30-21-19(16)20(25-22(26-21)29-4)28-12-17(27)13-5-8-15(24)9-6-13/h5-6,8-9,14H,7,10-12H2,1-4H3
InChIKey TVFCUQSIQZHBFW-UHFFFAOYSA-N
Mol Weight 505.49 g/mol
Molecular Formula C23H25BrN2O2S2
Exact Mass 504.054083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCwe4olYCfg
Name 1-(4-bromophenyl)-2-{[7-tert-butyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]oxy}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 504.054083399 u
Formula C23H25BrN2O2S2
InChI InChI=1S/C23H25BrN2O2S2/c1-23(2,3)14-7-10-16-18(11-14)30-21-19(16)20(25-22(26-21)29-4)28-12-17(27)13-5-8-15(24)9-6-13/h5-6,8-9,14H,7,10-12H2,1-4H3
InChIKey TVFCUQSIQZHBFW-UHFFFAOYSA-N
Molecular Weight 505.489 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2061
Solvent DMSO-d6
Source Vendor ID: NMR/12278831