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1,1-Dimethyl-2-ethyl-5-oxo-3-phenoxy-1,2,4-triazolinium hexafluorophosphate
SpectraBase Compound ID JzzYkElkU9r
InChI InChI=1S/C12H16N3O2.F6P/c1-4-14-11(13-12(16)15(14,2)3)17-10-8-6-5-7-9-10;1-7(2,3,4,5)6/h5-9H,4H2,1-3H3;/q+1;-1
InChIKey OXTUBEYKWCXUPQ-UHFFFAOYSA-N
Mol Weight 379.24 g/mol
Molecular Formula C12H16F6N3O2P
Exact Mass 379.088433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6O8MniJwRGw
Name 1,1-Dimethyl-2-ethyl-5-oxo-3-phenoxy-1,2,4-triazolinium hexafluorophosphate
CAS Registry Number 90195-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16F6N3O2P
InChI InChI=1S/C12H16N3O2.F6P/c1-4-14-11(13-12(16)15(14,2)3)17-10-8-6-5-7-9-10;1-7(2,3,4,5)6/h5-9H,4H2,1-3H3;/q+1;-1
InChIKey OXTUBEYKWCXUPQ-UHFFFAOYSA-N
Molecular Weight 379.243 g/mol
SMILES [P-](F)(F)(F)(F)(F)F.C1(=NC([N+](N1CC)(C)C)=O)Oc1ccccc1
SPLASH splash10-01t9-9400000000-5b6bf40c60b3c3c4cc51
Source of Spectrum J-49-2407-0
Synonyms 2-Ethyl-1,1-dimethyl-5-oxo-3-phenoxy-2,5-dihydro-1H-1,2,4-triazol-1-ium hexafluorophosphate
Wiley ID 1359147