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6-Fluoro-3-(1-(2-methyl-2-phenylpropyl)piperidin-4-yl)benzo[d]isoxazole
SpectraBase Compound ID 5dI9YqBUN0j
InChI InChI=1S/C22H25FN2O/c1-22(2,17-6-4-3-5-7-17)15-25-12-10-16(11-13-25)21-19-9-8-18(23)14-20(19)26-24-21/h3-9,14,16H,10-13,15H2,1-2H3
InChIKey VAYSPYFEMVHMDI-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C22H25FN2O
Exact Mass 352.195092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPQMcVgdiVx
Name 6-Fluoro-3-(1-(2-methyl-2-phenylpropyl)piperidin-4-yl)benzo[d]isoxazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25FN2O
InChI InChI=1S/C22H25FN2O/c1-22(2,17-6-4-3-5-7-17)15-25-12-10-16(11-13-25)21-19-9-8-18(23)14-20(19)26-24-21/h3-9,14,16H,10-13,15H2,1-2H3
InChIKey VAYSPYFEMVHMDI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202304445
Molecular Weight 352.453 g/mol
Quality 48
Reported Formula C22H25FN2O
SMILES C(CN1CCC(CC1)C=1C2=C(ON1)C=C(C=C2)F)(C1=CC=CC=C1)(C)C
SPLASH splash10-001i-2190000000-a327c41302a695667e6e
Source of Spectrum ACI-62-SM42-1s (DOI: 10.1002/anie.202304445)
Wiley ID 1911134