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Piperidin-4-ylmethyl(4'-cyano-5-fluoro-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate
SpectraBase Compound ID 3LzbtlsCeqe
InChI InChI=1S/C20H20FN3O2.C2HF3O2/c21-17-5-6-19(18(11-17)16-3-1-14(12-22)2-4-16)24-20(25)26-13-15-7-9-23-10-8-15;3-2(4,5)1(6)7/h1-6,11,15,23H,7-10,13H2,(H,24,25);(H,6,7)
InChIKey FAGCILXEZZWJKR-UHFFFAOYSA-N
Mol Weight 467.421 g/mol
Molecular Formula C22H21F4N3O4
Exact Mass 467.146819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SrY3Ng7ZBs
Name Piperidin-4-ylmethyl(4'-cyano-5-fluoro-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate
Appearance Brown oil
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Formula C22H21F4N3O4
InChI InChI=1S/C20H20FN3O2.C2HF3O2/c21-17-5-6-19(18(11-17)16-3-1-14(12-22)2-4-16)24-20(25)26-13-15-7-9-23-10-8-15;3-2(4,5)1(6)7/h1-6,11,15,23H,7-10,13H2,(H,24,25);(H,6,7)
InChIKey FAGCILXEZZWJKR-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 467.421 g/mol
SMILES N(c1c(-c2ccc(cc2)C#N)cc(cc1)F)C(OCC1CCNCC1)=O.OC(C(F)(F)F)=O
SPLASH splash10-08g3-9352000000-6e7cc295ea0ce024fa0a
Source of Spectrum EP3720852A1
Wiley ID 1877238