SpectraBase Spectrum ID |
COXTaIadVHg |
Name |
5-(4-chlorophenyl)-1-(3-(dimethylammonio)propyl)-4-(4-fluorobenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate |
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/C22H22ClFN2O3/c1-25(2)12-3-13-26-19(14-4-8-16(23)9-5-14)18(21(28)22(26)29)20(27)15-6-10-17(24)11-7-15/h4-11,19,28H,3,12-13H2,1-2H3 |
InChIKey |
BLGBHCJPYXFKRZ-UHFFFAOYSA-N |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Origin |
1H_CB3_9000_1905 |
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: NMR/11268310 |