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Piperidin-4-ylmethyl(4'-bromo-S-fluoro-1,1'-biphenyl]-2-yl)carbamate trifluoroacetate
SpectraBase Compound ID IsWe8RQ7Yhe
InChI InChI=1S/C19H20BrFN2O2.C2HF3O2/c20-15-3-1-14(2-4-15)17-11-16(21)5-6-18(17)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 LSTSHVHYSMBZAR-UHFFFAOYSA-N
Mol Weight 521.307 g/mol
Molecular Formula C21H21BrF4N2O4
Exact Mass 520.062083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EC61zC2yRTd
Name Piperidin-4-ylmethyl(4'-bromo-S-fluoro-1,1'-biphenyl]-2-yl)carbamate trifluoroacetate
Appearance Brown oil
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Formula C21H21BrF4N2O4
InChI InChI=1S/C19H20BrFN2O2.C2HF3O2/c20-15-3-1-14(2-4-15)17-11-16(21)5-6-18(17)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 LSTSHVHYSMBZAR-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 521.307 g/mol
SMILES N(c1c(-c2ccc(cc2)Br)cc(cc1)F)C(OCC1CCNCC1)=O.OC(C(F)(F)F)=O
SPLASH splash10-052g-9220000000-4d25899e5bad9cd6878f
Source of Spectrum EP3720852A1
Wiley ID 1877237