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acetamide, 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID CtpzZU9EQ00
InChI InChI=1S/C13H12F3N5OS/c14-13(15,16)7-2-1-3-8(4-7)19-11(22)6-23-12-20-9(17)5-10(18)21-12/h1-5H,6H2,(H,19,22)(H4,17,18,20,21)
InChIKey QHQKEFPPMPBIFN-UHFFFAOYSA-N
Mol Weight 343.33 g/mol
Molecular Formula C13H12F3N5OS
Exact Mass 343.071466 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7cRrapuAKIX
Name acetamide, 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 343.071465688 u
Formula C13H12F3N5OS
InChI InChI=1S/C13H12F3N5OS/c14-13(15,16)7-2-1-3-8(4-7)19-11(22)6-23-12-20-9(17)5-10(18)21-12/h1-5H,6H2,(H,19,22)(H4,17,18,20,21)
InChIKey QHQKEFPPMPBIFN-UHFFFAOYSA-N
Molecular Weight 343.328 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2144
Solvent DMSO-d6
Source Vendor ID: NMR/13268350