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3,6-Dimethyl-1-(4-nitrophenyl)pyridazinium trifluoroacetate
SpectraBase Compound ID 8hXtC2HVnNB
InChI InChI=1S/C12H12N3O2.C2HF3O2/c1-9-3-4-10(2)14(13-9)11-5-7-12(8-6-11)15(16)17;3-2(4,5)1(6)7/h3-8H,1-2H3;(H,6,7)/q+1;/p-1
InChIKey NULWOZGICQYRNP-UHFFFAOYSA-M
Mol Weight 343.26 g/mol
Molecular Formula C14H12F3N3O4
Exact Mass 343.07799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OprHWeUTY
Name 3,6-Dimethyl-1-(4-nitrophenyl)pyridazinium trifluoroacetate
Alternate Name(s) 3,6-Dimethyl-1-(4-nitrophenyl)pyridazin-1-ium 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F3N3O4
InChI InChI=1S/C12H12N3O2.C2HF3O2/c1-9-3-4-10(2)14(13-9)11-5-7-12(8-6-11)15(16)17;3-2(4,5)1(6)7/h3-8H,1-2H3;(H,6,7)/q+1;/p-1
InChIKey NULWOZGICQYRNP-UHFFFAOYSA-M
Literature Reference DOI 10.1002/anie.201406175
Molecular Weight 343.262 g/mol
SMILES C(C(F)(F)F)([O-])=O.c1(ccc(-[n+]2nc(C)ccc2C)cc1)[N+](=O)[O-]
SPLASH splash10-005a-9530000000-2ec8a591e34b46daab27
Source of Spectrum ACI-53-SM19-27
Wiley ID 1782761