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2,3-Dimethyl-7-nitro-9-(phenylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID JcwN9u2nfNg
InChI InChI=1S/C18H13N3O3S2/c1-10-19-16-15-13(25-12-6-4-3-5-7-12)8-11(21(23)24)9-14(15)26-17(16)18(22)20(10)2/h3-9H,1-2H3
InChIKey OTOXJWWNNLALRG-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C18H13N3O3S2
Exact Mass 383.039834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IHoL0bMVYtD
Name benzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 2,3-dimethyl-7-nitro-9-(phenylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.039833636 u
Formula C18H13N3O3S2
InChI InChI=1S/C18H13N3O3S2/c1-10-19-16-15-13(25-12-6-4-3-5-7-12)8-11(21(23)24)9-14(15)26-17(16)18(22)20(10)2/h3-9H,1-2H3
InChIKey OTOXJWWNNLALRG-UHFFFAOYSA-N
Molecular Weight 383.440 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16695
Solvent DMSO-d6
Source Vendor ID: NMR/10320384; Lab Info: DAL; Lab Number: DAL-0101016