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ethyl 4-(4-hexylanilino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate

View entire compound with spectra: 1 NMR

ethyl 4-(4-hexylanilino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
SpectraBase Compound ID 9E7lhVWlDNU
InChI InChI=1S/C20H27N3O2S/c1-4-6-7-8-9-15-10-12-16(13-11-15)22-18-17(19(24)25-5-2)14-21-20(23-18)26-3/h10-14H,4-9H2,1-3H3,(H,21,22,23)
InChIKey BSKNOUWXFLHLGS-UHFFFAOYSA-N
Mol Weight 373.52 g/mol
Molecular Formula C20H27N3O2S
Exact Mass 373.182398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3iQG45LuLhw
Name ethyl 4-(4-hexylanilino)-2-(methylsulfanyl)-5-pyrimidinecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.182398293 u
Formula C20H27N3O2S
InChI InChI=1S/C20H27N3O2S/c1-4-6-7-8-9-15-10-12-16(13-11-15)22-18-17(19(24)25-5-2)14-21-20(23-18)26-3/h10-14H,4-9H2,1-3H3,(H,21,22,23)
InChIKey BSKNOUWXFLHLGS-UHFFFAOYSA-N
Molecular Weight 373.515 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3447
Solvent DMSO-d6
Source Vendor ID: NMR/12289322