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

*Links on SpectraBase are not permalinks.

ethyl 6-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 1 NMR

ethyl 6-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 72UGTt4Uord
InChI InChI=1S/C21H22F2N6O3S/c1-4-29-9-12(8-25-29)17-16(20(30)32-5-2)15(27-21(31)28-17)10-33-19-13(7-24)11(3)6-14(26-19)18(22)23/h6,8-9,17-18H,4-5,10H2,1-3H3,(H2,27,28,31)
InChIKey GUECWMNDCGGLLH-UHFFFAOYSA-N
Mol Weight 476.5 g/mol
Molecular Formula C21H22F2N6O3S
Exact Mass 476.144216 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 7SI9Mmx0KJs
Name ethyl 6-({[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]sulfanyl}methyl)-4-(1-ethyl-1H-pyrazol-4-yl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
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/C21H22F2N6O3S/c1-4-29-9-12(8-25-29)17-16(20(30)32-5-2)15(27-21(31)28-17)10-33-19-13(7-24)11(3)6-14(26-19)18(22)23/h6,8-9,17-18H,4-5,10H2,1-3H3,(H2,27,28,31)
InChIKey GUECWMNDCGGLLH-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33523
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: 1969144; SBI_ID: SBI-033527
Temperature 297 °C