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

*Links on SpectraBase are not permalinks.
2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}-5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-1-ium chloride
SpectraBase Compound ID EPvtDt8RXAq
InChI InChI=1S/C22H20F2N2O3S.ClH/c1-3-29-21(28)19-13(2)25-22(26-20(19)14-7-5-4-6-8-14)30-12-18(27)16-10-9-15(23)11-17(16)24;/h4-11,20H,3,12H2,1-2H3,(H,25,26);1H
InChIKey UKLWLCQSECEHLD-UHFFFAOYSA-N
Mol Weight 466.93 g/mol
Molecular Formula C22H21ClF2N2O3S
Exact Mass 466.092948 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 KgKniyUywP7
Name 2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}-5-(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyrimidin-1-ium chloride
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/C22H20F2N2O3S.ClH/c1-3-29-21(28)19-13(2)25-22(26-20(19)14-7-5-4-6-8-14)30-12-18(27)16-10-9-15(23)11-17(16)24;/h4-11,20H,3,12H2,1-2H3,(H,25,26);1H
InChIKey UKLWLCQSECEHLD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16713
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: UZI/8172491; UBI_ID: UBI-016716
Temperature 308 °C