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2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID IHfctF9OXTP
InChI InChI=1S/C23H21ClN2OS2/c24-18-12-6-4-8-15(18)14-28-23-25-20-17-11-5-7-13-19(17)29-21(20)22(27)26(23)16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2
InChIKey XTRAGAIWUULGJS-UHFFFAOYSA-N
Mol Weight 441.01 g/mol
Molecular Formula C23H21ClN2OS2
Exact Mass 440.078383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GkIC8HehwvG
Name 2-[(2-chlorobenzyl)sulfanyl]-3-cyclohexyl[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 440.078383351 u
Formula C23H21ClN2OS2
InChI InChI=1S/C23H21ClN2OS2/c24-18-12-6-4-8-15(18)14-28-23-25-20-17-11-5-7-13-19(17)29-21(20)22(27)26(23)16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2
InChIKey XTRAGAIWUULGJS-UHFFFAOYSA-N
Molecular Weight 441.007 g/mol
NMR Offset 17.9986
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9856
Solvent DMSO-d6
Source Vendor ID: NMR/13229929