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ethyl 3-amino-2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID DxnDACYhACb
InChI InChI=1S/C17H15ClFN3O3S2/c1-3-25-16(24)13-8(2)12-14(27-13)21-17(22(20)15(12)23)26-7-9-10(18)5-4-6-11(9)19/h4-6H,3,7,20H2,1-2H3
InChIKey PNVFOKUFZWSRHA-UHFFFAOYSA-N
Mol Weight 427.9 g/mol
Molecular Formula C17H15ClFN3O3S2
Exact Mass 427.02274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuSLRV22ah7
Name ethyl 3-amino-2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-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 427.022739563 u
Formula C17H15ClFN3O3S2
InChI InChI=1S/C17H15ClFN3O3S2/c1-3-25-16(24)13-8(2)12-14(27-13)21-17(22(20)15(12)23)26-7-9-10(18)5-4-6-11(9)19/h4-6H,3,7,20H2,1-2H3
InChIKey PNVFOKUFZWSRHA-UHFFFAOYSA-N
Molecular Weight 427.896 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6268
Solvent DMSO-d6
Source Vendor ID: NMR/12328377