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2-methylbenzyl 5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl sulfide
SpectraBase Compound ID IDuwJFSzU3d
InChI InChI=1S/C21H18N2S2/c1-14-7-9-16(10-8-14)18-12-25-21-19(18)20(22-13-23-21)24-11-17-6-4-3-5-15(17)2/h3-10,12-13H,11H2,1-2H3
InChIKey ITGBPCFQUCCTIW-UHFFFAOYSA-N
Mol Weight 362.51 g/mol
Molecular Formula C21H18N2S2
Exact Mass 362.091141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DFJ5E1e0Iwx
Name 2-methylbenzyl 5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl sulfide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18N2S2/c1-14-7-9-16(10-8-14)18-12-25-21-19(18)20(22-13-23-21)24-11-17-6-4-3-5-15(17)2/h3-10,12-13H,11H2,1-2H3
InChIKey ITGBPCFQUCCTIW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12401
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D74477; Labnumber: GRESKO-1975; SBI_ID: SBI-012404
Synonyms 4-[(2-methylbenzyl)sulfanyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
Temperature 318 °C