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3-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)propionitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)propionitrile
SpectraBase Compound ID 4tPxPOvvJo7
InChI InChI=1S/C7H7FN4O/c8-5-4-12(3-1-2-9)7(13)11-6(5)10/h4H,1,3H2,(H2,10,11,13)
InChIKey KZYMRIJBPNFFEV-UHFFFAOYSA-N
Mol Weight 182.16 g/mol
Molecular Formula C7H7FN4O
Exact Mass 182.060389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HIov9IeQU1O
Name 1-pyrimidinepropanenitrile, 4-amino-5-fluoro-1,2-dihydro-2-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.060389023 u
Formula C7H7FN4O
InChI InChI=1S/C7H7FN4O/c8-5-4-12(3-1-2-9)7(13)11-6(5)10/h4H,1,3H2,(H2,10,11,13)
InChIKey KZYMRIJBPNFFEV-UHFFFAOYSA-N
Molecular Weight 182.158 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11678
Solvent DMSO-d6
Source Vendor ID: NMR/10271486; Lab Info: RAC; Lab Number: RAC-0000204