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2-[(2-chlorobenzyl)sulfanyl]-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 40FVgNc70tt
InChI InChI=1S/C27H20ClN3OS2/c28-21-10-4-1-7-18(21)16-33-27-30-24-20-9-3-6-12-23(20)34-25(24)26(32)31(27)14-13-17-15-29-22-11-5-2-8-19(17)22/h1-12,15,29H,13-14,16H2
InChIKey YSEDMTSDHDUBEC-UHFFFAOYSA-N
Mol Weight 502.05 g/mol
Molecular Formula C27H20ClN3OS2
Exact Mass 501.073632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMpfBbFeYZL
Name 2-[(2-chlorobenzyl)sulfanyl]-3-[2-(1H-indol-3-yl)ethyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.073632323 u
Formula C27H20ClN3OS2
InChI InChI=1S/C27H20ClN3OS2/c28-21-10-4-1-7-18(21)16-33-27-30-24-20-9-3-6-12-23(20)34-25(24)26(32)31(27)14-13-17-15-29-22-11-5-2-8-19(17)22/h1-12,15,29H,13-14,16H2
InChIKey YSEDMTSDHDUBEC-UHFFFAOYSA-N
Molecular Weight 502.050 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7818
Solvent DMSO-d6
Source Vendor ID: NMR/13218569