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1,2,4-Triazine-6-propanoic acid, 4-amino-3-[[(4-fluorophenyl)methyl]thio]-4,5-dihydro-5-oxo-
SpectraBase Compound ID FbFVmLd3sxK
InChI InChI=1S/C13H13FN4O3S/c14-9-3-1-8(2-4-9)7-22-13-17-16-10(5-6-11(19)20)12(21)18(13)15/h1-4H,5-7,15H2,(H,19,20)
InChIKey VJJSCGZDJZHBEQ-UHFFFAOYSA-N
Mol Weight 324.33 g/mol
Molecular Formula C13H13FN4O3S
Exact Mass 324.06924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0JRaZ0HmwV
Name 1,2,4-Triazine-6-propanoic acid, 4-amino-3-[[(4-fluorophenyl)methyl]thio]-4,5-dihydro-5-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13FN4O3S
InChI InChI=1S/C13H13FN4O3S/c14-9-3-1-8(2-4-9)7-22-13-17-16-10(5-6-11(19)20)12(21)18(13)15/h1-4H,5-7,15H2,(H,19,20)
InChIKey VJJSCGZDJZHBEQ-UHFFFAOYSA-N
Molecular Weight 324.330 g/mol
SMILES NN1C(=NN=C(CCC(=O)O)C1=O)SCc1ccc(cc1)F
SPLASH splash10-0a4i-9600000000-0af4f80131303a6fe4cd
Source of Spectrum IY-2-4961-5
Synonyms 3-(4-amino-3-{[(4-fluorophenyl)methyl]sulfanyl}-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid 3-[4-amino-3-[(4-fluorophenyl)methylthio]-5-oxo-1,2,4-triazin-6-yl]propanoic acid 3-[4-amino-3-[(4-fluorophenyl)methylsulfanyl]-5-oxo-1,2,4-triazin-6-yl]propanoic acid 3-[4-azanyl-3-[(4-fluorophenyl)methylsulfanyl]-5-oxidanylidene-1,2,4-triazin-6-yl]propanoic acid
Wiley ID 1657598