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4-Bromo-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Bromo-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane
SpectraBase Compound ID HD1TJ0wAgtI
InChI InChI=1S/C21H22BrNO/c1-21(2)13-24-20(23-21)18-11-14-3-4-15-6-8-17(19(22)12-15)10-9-16(18)7-5-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKey ZDZJVJSKZYICMA-UHFFFAOYSA-N
Mol Weight 384.32 g/mol
Molecular Formula C21H22BrNO
Exact Mass 383.088477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RkLSbPc3hr
Name 4-Bromo-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane
Comments Computed using HOSE algorithm
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Exact Mass 383.088477331 u
Formula C21H22BrNO
InChI InChI=1S/C21H22BrNO/c1-21(2)13-24-20(23-21)18-11-14-3-4-15-6-8-17(19(22)12-15)10-9-16(18)7-5-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKey ZDZJVJSKZYICMA-UHFFFAOYSA-N
Molecular Weight 384.317 g/mol
SMILES C1(=NC(C)(C)CO1)C1=C2CCC3=C(C=C(CCC(=C1)C=C2)C=C3)Br