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methyl 2-(4-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
SpectraBase Compound ID 715B5YdRTnl
InChI InChI=1S/C17H12ClN3O3S2/c1-8-12-14(26-13(8)16(23)24-2)19-17-21(15(12)22)20-11(7-25-17)9-3-5-10(18)6-4-9/h3-6H,7H2,1-2H3
InChIKey CUXBQCRFXSRRLF-UHFFFAOYSA-N
Mol Weight 405.87 g/mol
Molecular Formula C17H12ClN3O3S2
Exact Mass 405.000861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 28uUX3aOyqm
Name methyl 2-(4-chlorophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.000861303 u
Formula C17H12ClN3O3S2
InChI InChI=1S/C17H12ClN3O3S2/c1-8-12-14(26-13(8)16(23)24-2)19-17-21(15(12)22)20-11(7-25-17)9-3-5-10(18)6-4-9/h3-6H,7H2,1-2H3
InChIKey CUXBQCRFXSRRLF-UHFFFAOYSA-N
Molecular Weight 405.874 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7316
Solvent DMSO-d6
Source Vendor ID: NMR/13218062