For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
methyl 3-amino-2-[(2-cyanobenzyl)sulfanyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID 1ZKhurQY6P2
InChI InChI=1S/C17H14N4O3S2/c1-9-12-14(26-13(9)16(23)24-2)20-17(21(19)15(12)22)25-8-11-6-4-3-5-10(11)7-18/h3-6H,8,19H2,1-2H3
InChIKey ZKGVZDXUYIJUED-UHFFFAOYSA-N
Mol Weight 386.44 g/mol
Molecular Formula C17H14N4O3S2
Exact Mass 386.050733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1R0JeKVWpjh
Name methyl 3-amino-2-[(2-cyanobenzyl)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 386.050732672 u
Formula C17H14N4O3S2
InChI InChI=1S/C17H14N4O3S2/c1-9-12-14(26-13(9)16(23)24-2)20-17(21(19)15(12)22)25-8-11-6-4-3-5-10(11)7-18/h3-6H,8,19H2,1-2H3
InChIKey ZKGVZDXUYIJUED-UHFFFAOYSA-N
Molecular Weight 386.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7313
Solvent DMSO-d6
Source Vendor ID: NMR/13218056