SpectraBase Spectrum ID |
1Qf7b6IWN4g |
Name |
sodium 7-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}-[1,3]thiazolo[4,5-b]pyridin-5-olate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
349.010876418 u |
Formula |
C13H7F3N3NaO2S |
InChI |
InChI=1S/C13H8F3N3O2S.Na/c14-13(15,16)6-2-1-3-7(4-6)17-12-19-11-10(22-12)8(20)5-9(21)18-11;/h1-5H,(H3,17,18,19,20,21);/q;+1/p-1 |
InChIKey |
ZNCRMFQMJKQDMZ-UHFFFAOYSA-M |
Molecular Weight |
349.263 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_2160 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13268377 |