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Piperidin-4-ylmethyl(2'-chloro-5-fluoro-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate
SpectraBase Compound ID EoHUeWM8rBb
InChI InChI=1S/C19H20ClFN2O2.C2HF3O2/c20-17-4-2-1-3-15(17)16-11-14(21)5-6-18(16)23-19(24)25-12-13-7-9-22-10-8-13;3-2(4,5)1(6)7/h1-6,11,13,22H,7-10,12H2,(H,23,24);(H,6,7)
InChIKey YVNLJQCRANRGAW-UHFFFAOYSA-N
Mol Weight 476.856 g/mol
Molecular Formula C21H21ClF4N2O4
Exact Mass 476.112598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUgOidUkevR
Name Piperidin-4-ylmethyl(2'-chloro-5-fluoro-[1,1'-biphenyl]-2-yl)carbamate trifluoroacetate
Appearance Dark brown oil
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Formula C21H21ClF4N2O4
InChI InChI=1S/C19H20ClFN2O2.C2HF3O2/c20-17-4-2-1-3-15(17)16-11-14(21)5-6-18(16)23-19(24)25-12-13-7-9-22-10-8-13;3-2(4,5)1(6)7/h1-6,11,13,22H,7-10,12H2,(H,23,24);(H,6,7)
InChIKey YVNLJQCRANRGAW-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 476.856 g/mol
SMILES N(c1c(-c2c(cccc2)Cl)cc(cc1)F)C(OCC1CCNCC1)=O.OC(C(F)(F)F)=O
SPLASH splash10-05mt-9400000000-3abe4889212be5235e8c
Source of Spectrum EP3720852A1
Wiley ID 1877236