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2,2,2-trifluoro-N-(7-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)acetamide
SpectraBase Compound ID 1NdW4XE5jch
InChI InChI=1S/C13H8F3N5O2S/c1-4-2-6-7(3-5(4)19-11(23)13(14,15)16)18-9-8(17-6)10(22)21-12(24)20-9/h2-3H,1H3,(H,19,23)(H2,18,20,21,22,24)
InChIKey JAXKSNSYGBMZPH-UHFFFAOYSA-N
Mol Weight 355.3 g/mol
Molecular Formula C13H8F3N5O2S
Exact Mass 355.03508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gfdAQqIhAp
Name 2,2,2-trifluoro-N-(7-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.035080179 u
Formula C13H8F3N5O2S
InChI InChI=1S/C13H8F3N5O2S/c1-4-2-6-7(3-5(4)19-11(23)13(14,15)16)18-9-8(17-6)10(22)21-12(24)20-9/h2-3H,1H3,(H,19,23)(H2,18,20,21,22,24)
InChIKey JAXKSNSYGBMZPH-UHFFFAOYSA-N
Molecular Weight 355.295 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8558
Solvent DMSO-d6
Source Vendor ID: NMR/13219838