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2-({7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-phenylethanone

View entire compound with spectra: 1 NMR

2-({7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-phenylethanone
SpectraBase Compound ID 9gBqep6a5q
InChI InChI=1S/C30H30N2O2S3/c1-30(2,3)21-14-15-22-25(16-21)37-28-26(22)27(35-17-23(33)19-10-6-4-7-11-19)31-29(32-28)36-18-24(34)20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3
InChIKey VWFPJUIUBKMJJB-UHFFFAOYSA-N
Mol Weight 546.76 g/mol
Molecular Formula C30H30N2O2S3
Exact Mass 546.146942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HTXavmsWIKH
Name 2-({7-tert-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1-phenylethanone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.146941734 u
Formula C30H30N2O2S3
InChI InChI=1S/C30H30N2O2S3/c1-30(2,3)21-14-15-22-25(16-21)37-28-26(22)27(35-17-23(33)19-10-6-4-7-11-19)31-29(32-28)36-18-24(34)20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3
InChIKey VWFPJUIUBKMJJB-UHFFFAOYSA-N
Molecular Weight 546.762 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2063
Solvent DMSO-d6
Source Vendor ID: NMR/12278834