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

*Links on SpectraBase are not permalinks.

tert-butyl 2-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfanyl)butanoate

View entire compound with spectra: 1 NMR

tert-butyl 2-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfanyl)butanoate
SpectraBase Compound ID HGYOlHLw94u
InChI InChI=1S/C20H24FN3O5S/c1-20(2,3)29-18(27)15(9-10-30-4)22-11-14-16(25)23-19(28)24(17(14)26)13-7-5-12(21)6-8-13/h5-8,11,15,22H,9-10H2,1-4H3,(H,23,25,28)/b14-11+
InChIKey RPZKWILODOJCSM-SDNWHVSQSA-N
Mol Weight 437.49 g/mol
Molecular Formula C20H24FN3O5S
Exact Mass 437.14207 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 KgKQOrZcHIj
Name tert-butyl 2-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfanyl)butanoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H24FN3O5S/c1-20(2,3)29-18(27)15(9-10-30-4)22-11-14-16(25)23-19(28)24(17(14)26)13-7-5-12(21)6-8-13/h5-8,11,15,22H,9-10H2,1-4H3,(H,23,25,28)/b14-11+
InChIKey RPZKWILODOJCSM-SDNWHVSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23433
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D40399; Labnumber: NC98SP32-1599; SBI_ID: SBI-023437
Synonyms tert-butyl 2-{[(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}-4-(methylsulfanyl)butanoate
Temperature 318 °C