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6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole-4,5,7-d3
SpectraBase Compound ID 8oBnFQbfiWG
InChI InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2/i1D,2D,7D,8D
InChIKey MRMGJMGHPJZSAE-LZKVNSRZSA-N
Mol Weight 224.27 g/mol
Molecular Formula C12H9D4FN2O
Exact Mass 224.126298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQRgkiQMDTZ
Name 6-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole-4,5,7-d3
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.126298192 u
Formula C12H9D4FN2O
InChI InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2/i1D,2D,7D,8D
InChIKey MRMGJMGHPJZSAE-LZKVNSRZSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200204
Molecular Weight 224.272 g/mol
Quality 921
SMILES N1CCC(CC1)(C=1C=2C(=C(C(=C(C2ON1)[D])F)[D])[D])[D]
SPLASH splash10-0089-9530000000-92ea9e7092f7e50bd066
Source of Spectrum K1-2022-SM100-33-d3 (DOI: 10.1002/ejoc.202200204)
Wiley ID 1910380