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methyl 3-amino-2-[(3-chlorobenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID L8aMiTTQnWB
InChI InChI=1S/C16H14ClN3O3S2/c1-8-11-13(25-12(8)15(22)23-2)19-16(20(18)14(11)21)24-7-9-4-3-5-10(17)6-9/h3-6H,7,18H2,1-2H3
InChIKey COOJLBLUBZUURY-UHFFFAOYSA-N
Mol Weight 395.88 g/mol
Molecular Formula C16H14ClN3O3S2
Exact Mass 395.016511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DkU4nt4Do74
Name methyl 3-amino-2-[(3-chlorobenzyl)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 395.016511368 u
Formula C16H14ClN3O3S2
InChI InChI=1S/C16H14ClN3O3S2/c1-8-11-13(25-12(8)15(22)23-2)19-16(20(18)14(11)21)24-7-9-4-3-5-10(17)6-9/h3-6H,7,18H2,1-2H3
InChIKey COOJLBLUBZUURY-UHFFFAOYSA-N
Molecular Weight 395.879 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8177
Solvent DMSO-d6
Source Vendor ID: NMR/13219204