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methyl 3-amino-2-[(4-tert-butylbenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID F9CnxgWDumC
InChI InChI=1S/C20H23N3O3S2/c1-11-14-16(28-15(11)18(25)26-5)22-19(23(21)17(14)24)27-10-12-6-8-13(9-7-12)20(2,3)4/h6-9H,10,21H2,1-5H3
InChIKey DXFRENBCPLXVSD-UHFFFAOYSA-N
Mol Weight 417.54 g/mol
Molecular Formula C20H23N3O3S2
Exact Mass 417.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3xP4ttz80oo
Name methyl 3-amino-2-[(4-tert-butylbenzyl)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 417.118083958 u
Formula C20H23N3O3S2
InChI InChI=1S/C20H23N3O3S2/c1-11-14-16(28-15(11)18(25)26-5)22-19(23(21)17(14)24)27-10-12-6-8-13(9-7-12)20(2,3)4/h6-9H,10,21H2,1-5H3
InChIKey DXFRENBCPLXVSD-UHFFFAOYSA-N
Molecular Weight 417.542 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8180
Solvent DMSO-d6
Source Vendor ID: NMR/13219207