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1-(2,4-Dimethyl-phenyl)-2-(4-hydroxy-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-ethanone
SpectraBase Compound ID 1SV1WsKbTcc
InChI InChI=1S/C18H18N2O2S2/c1-9-5-6-13(10(2)7-9)14(21)8-23-18-19-16(22)15-11(3)12(4)24-17(15)20-18/h5-7H,8H2,1-4H3,(H,19,20,22)
InChIKey XKXWIUAMFNZCLD-UHFFFAOYSA-N
Mol Weight 358.47 g/mol
Molecular Formula C18H18N2O2S2
Exact Mass 358.08097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Hy5tcciXcs
Name ethanone, 1-(2,4-dimethylphenyl)-2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.080970174 u
Formula C18H18N2O2S2
InChI InChI=1S/C18H18N2O2S2/c1-9-5-6-13(10(2)7-9)14(21)8-23-18-19-16(22)15-11(3)12(4)24-17(15)20-18/h5-7H,8H2,1-4H3,(H,19,20,22)
InChIKey XKXWIUAMFNZCLD-UHFFFAOYSA-N
Molecular Weight 358.474 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4378
Solvent DMSO-d6
Source Vendor ID: ZI/9041739; Lab Info: mih; Lab Number: MIH-0000776