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2-[4-(6-Fluorobenzo[d]isoxazol-3-yl]piperidine-1-carbonyl)benzaldehyde
SpectraBase Compound ID 30bT7zxGCbh
InChI InChI=1S/C20H17FN2O3/c21-15-5-6-17-18(11-15)26-22-19(17)13-7-9-23(10-8-13)20(25)16-4-2-1-3-14(16)12-24/h1-6,11-13H,7-10H2
InChIKey UWJNKGIYDNVRDF-UHFFFAOYSA-N
Mol Weight 352.37 g/mol
Molecular Formula C20H17FN2O3
Exact Mass 352.122321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oaFoH9rG7Z
Name 2-[4-(6-Fluorobenzo[d]isoxazol-3-yl]piperidine-1-carbonyl)benzaldehyde
Appearance White solid
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Formula C20H17FN2O3
InChI InChI=1S/C20H17FN2O3/c21-15-5-6-17-18(11-15)26-22-19(17)13-7-9-23(10-8-13)20(25)16-4-2-1-3-14(16)12-24/h1-6,11-13H,7-10H2
InChIKey UWJNKGIYDNVRDF-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202200190
Molecular Weight 352.365 g/mol
Reported Formula C20H17FN2O3
SMILES c1(F)cc2c(c(no2)C2CCN(CC2)C(=O)c2c(C=O)cccc2)cc1
SPLASH splash10-0159-2895000000-6788707902c691c4e400
Source of Spectrum ASC-364-SM15-5ay
Wiley ID 1868661