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ethyl 2-(4-bromophenyl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
SpectraBase Compound ID JiyiPa25nYb
InChI InChI=1S/C18H14BrN3O3S2/c1-3-25-17(24)14-9(2)13-15(27-14)20-18-22(16(13)23)21-12(8-26-18)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey LCXYLUAXOVWUCM-UHFFFAOYSA-N
Mol Weight 464.35 g/mol
Molecular Formula C18H14BrN3O3S2
Exact Mass 462.965997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EDlMyDI94Lx
Name ethyl 2-(4-bromophenyl)-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 462.965996668 u
Formula C18H14BrN3O3S2
InChI InChI=1S/C18H14BrN3O3S2/c1-3-25-17(24)14-9(2)13-15(27-14)20-18-22(16(13)23)21-12(8-26-18)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey LCXYLUAXOVWUCM-UHFFFAOYSA-N
Molecular Weight 464.352 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7825
Solvent DMSO-d6
Source Vendor ID: NMR/13218584