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5-(4-chlorophenyl)-4-[(2,5-dimethylbenzyl)sulfanyl]thieno[2,3-d]pyrimidine
SpectraBase Compound ID 2HHXhe8tezF
InChI InChI=1S/C21H17ClN2S2/c1-13-3-4-14(2)16(9-13)10-25-20-19-18(11-26-21(19)24-12-23-20)15-5-7-17(22)8-6-15/h3-9,11-12H,10H2,1-2H3
InChIKey AADYKSSTRLPPKO-UHFFFAOYSA-N
Mol Weight 396.95 g/mol
Molecular Formula C21H17ClN2S2
Exact Mass 396.052169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1X4dq166UoH
Name 5-(4-chlorophenyl)-4-[(2,5-dimethylbenzyl)sulfanyl]thieno[2,3-d]pyrimidine
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/C21H17ClN2S2/c1-13-3-4-14(2)16(9-13)10-25-20-19-18(11-26-21(19)24-12-23-20)15-5-7-17(22)8-6-15/h3-9,11-12H,10H2,1-2H3
InChIKey AADYKSSTRLPPKO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12427
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: D74530; Labnumber: GRESKO-2050; SBI_ID: SBI-012430
Synonyms 5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl 2,5-dimethylbenzyl sulfide
Temperature 318 °C