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methyl 8-methyl-2-(4-nitrophenyl)-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
SpectraBase Compound ID GWrIUiKqxh0
InChI InChI=1S/C17H12N4O5S2/c1-8-12-14(28-13(8)16(23)26-2)18-17-20(15(12)22)19-11(7-27-17)9-3-5-10(6-4-9)21(24)25/h3-6H,7H2,1-2H3
InChIKey APSOKKAEBGZMRN-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C17H12N4O5S2
Exact Mass 416.024912 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2gpEBmrEexJ
Name methyl 8-methyl-2-(4-nitrophenyl)-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 416.024911845 u
Formula C17H12N4O5S2
InChI InChI=1S/C17H12N4O5S2/c1-8-12-14(28-13(8)16(23)26-2)18-17-20(15(12)22)19-11(7-27-17)9-3-5-10(6-4-9)21(24)25/h3-6H,7H2,1-2H3
InChIKey APSOKKAEBGZMRN-UHFFFAOYSA-N
Molecular Weight 416.426 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6270
Solvent DMSO-d6
Source Vendor ID: NMR/12328379