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6-Butyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine 5-oxide
SpectraBase Compound ID LNuXfkxWFWX
InChI InChI=1S/C17H16F3N3O/c1-2-3-7-13-10-15-14(11-22(13)24)16(17(18,19)20)21-23(15)12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3
InChIKey GOFOYTQZWIKZGF-UHFFFAOYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C17H16F3N3O
Exact Mass 335.124547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73EnNU8ECXX
Name 6-Butyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine 5-oxide
Appearance Brownish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3N3O
InChI InChI=1S/C17H16F3N3O/c1-2-3-7-13-10-15-14(11-22(13)24)16(17(18,19)20)21-23(15)12-8-5-4-6-9-12/h4-6,8-11H,2-3,7H2,1H3
InChIKey GOFOYTQZWIKZGF-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.183
Molecular Weight 335.330 g/mol
Reported Formula C17H16F3N3O
SMILES c1c(cccc1)-[n]1nc(c2c1cc([n+](c2)[O-])CCCC)C(F)(F)F
SPLASH splash10-004l-1091000000-b658d7e98c7ff9e525e1
Source of Spectrum BJO-10-SM9-7c
Wiley ID 1853958