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sodium 7-methyl-2-{[3-(trifluoromethyl)phenyl]methyl}-[1,3]thiazolo[4,5-b]pyridin-5-olate
SpectraBase Compound ID Ben3u4Da743
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
Mol Weight 349.26 g/mol
Molecular Formula C13H7F3N3NaO2S
Exact Mass 349.010876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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