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3-Amino-7-trifluoromethyl-1,2,4-benzotriazine 1,4-dioxide
SpectraBase Compound ID IjRigiSdf1u
InChI InChI=1S/C8H5F3N4O2/c9-8(10,11)4-1-2-5-6(3-4)15(17)13-7(12)14(5)16/h1-3H,(H2,12,13)
InChIKey SUVOILPTBXHTOK-UHFFFAOYSA-N
Mol Weight 246.15 g/mol
Molecular Formula C8H5F3N4O2
Exact Mass 246.03646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yFCrjlqzhO
Name 3-Amino-7-trifluoromethyl-1,2,4-benzotriazine 1,4-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C8H5F3N4O2
InChI InChI=1S/C8H5F3N4O2/c9-8(10,11)4-1-2-5-6(3-4)15(17)13-7(12)14(5)16/h1-3H,(H2,12,13)
InChIKey SUVOILPTBXHTOK-UHFFFAOYSA-N
Molecular Weight 246.149 g/mol
SMILES Nc1n[n+](c2c([n+]1[O-])ccc(C(F)(F)F)c2)[O-]
SPLASH splash10-000t-0090000000-4108a54eface23659fd4
Source of Spectrum SO-0-856-3
Synonyms 1,4-dioxido-7-(trifluoromethyl)-1,2,4-benzotriazin-3-ylamine 7-(trifluoromethyl)-1,2,4-benzotriazin-3-amine 1,4-dioxide
Wiley ID 874561