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

*Links on SpectraBase are not permalinks.

ethyl 6-({[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 1 NMR

ethyl 6-({[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID Jtje4OTdyGP
InChI InChI=1S/C19H22F2N6O3S/c1-3-26-12(10-31-19-25-24-16(15(20)21)27(19)22)13(17(28)30-4-2)14(23-18(26)29)11-8-6-5-7-9-11/h5-9,14-15H,3-4,10,22H2,1-2H3,(H,23,29)
InChIKey HQZUBJSVSAOWME-UHFFFAOYSA-N
Mol Weight 452.48 g/mol
Molecular Formula C19H22F2N6O3S
Exact Mass 452.144216 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 9p7dKt83UHb
Name ethyl 6-({[4-amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1-ethyl-2-oxo-4-phenyl-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/C19H22F2N6O3S/c1-3-26-12(10-31-19-25-24-16(15(20)21)27(19)22)13(17(28)30-4-2)14(23-18(26)29)11-8-6-5-7-9-11/h5-9,14-15H,3-4,10,22H2,1-2H3,(H,23,29)
InChIKey HQZUBJSVSAOWME-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30194
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: 1711673; SBI_ID: SBI-030198
Temperature 308 °C