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1,3-Dimethyl-7-[(4-fluorophenyl)amino]-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazinium Tetrafluoroborate
SpectraBase Compound ID Epkpzj2FrzP
InChI InChI=1S/C12H11FN5OS.BF4/c1-7-10(19)18-12(17(2)15-7)20-11(16-18)14-9-5-3-8(13)4-6-9;2-1(3,4)5/h3-6H,1-2H3,(H,14,16);/q+1;-1
InChIKey NCDCICSWMZHEMO-UHFFFAOYSA-N
Mol Weight 379.12 g/mol
Molecular Formula C12H11BF5N5OS
Exact Mass 379.069752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIlDRunsDiw
Name 1,3-Dimethyl-7-[(4-fluorophenyl)amino]-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazinium Tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BF5N5OS
InChI InChI=1S/C12H11FN5OS.BF4/c1-7-10(19)18-12(17(2)15-7)20-11(16-18)14-9-5-3-8(13)4-6-9;2-1(3,4)5/h3-6H,1-2H3,(H,14,16);/q+1;-1
InChIKey NCDCICSWMZHEMO-UHFFFAOYSA-N
Molecular Weight 379.116 g/mol
SMILES [B-](F)(F)(F)F.N(c1n[n+]2c(s1)N(C)N=C(C2=O)C)c1ccc(F)cc1
SPLASH splash10-0udj-5910000000-93720e7b7d39055e1e37
Source of Spectrum F-47-6754-5
Synonyms 7-(4-fluoroanilino)-1,3-dimethyl-4-oxo-1H,4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-5-ium tetrafluoroborate
Wiley ID 1359140