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2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID J0yK2pLfHBf
InChI InChI=1S/C17H15N3O5S2/c1-8-9(2)27-16-14(8)15(22)18-17(19-16)26-7-12(21)10-4-5-13(25-3)11(6-10)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,22)
InChIKey QPTBOEBDNOQGQH-UHFFFAOYSA-N
Mol Weight 405.44 g/mol
Molecular Formula C17H15N3O5S2
Exact Mass 405.045313 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EyjWTGX46fI
Name ethanone, 2-[(4-hydroxy-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)thio]-1-(4-methoxy-3-nitrophenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.045312938 u
Formula C17H15N3O5S2
InChI InChI=1S/C17H15N3O5S2/c1-8-9(2)27-16-14(8)15(22)18-17(19-16)26-7-12(21)10-4-5-13(25-3)11(6-10)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,22)
InChIKey QPTBOEBDNOQGQH-UHFFFAOYSA-N
Molecular Weight 405.443 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4376
Solvent DMSO-d6
Source Vendor ID: ZI/9041001; Lab Info: mih; Lab Number: MIH-0000784