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(-)-(S,4Rp,13Sp)-4-Bromo-13-(4-tert-butyloxazolin-2-yl)[2.2]paracyclophane
SpectraBase Compound ID 2FSQx2VqhkJ
InChI InChI=1S/C23H26BrNO/c1-23(2,3)21-14-26-22(25-21)19-12-15-4-5-16-7-9-18(20(24)13-16)11-10-17(19)8-6-15/h6-9,12-13,21H,4-5,10-11,14H2,1-3H3/t21-/m1/s1
InChIKey FZCJCEXCIWVPPC-OAQYLSRUSA-N
Mol Weight 412.37 g/mol
Molecular Formula C23H26BrNO
Exact Mass 411.119777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2wpa5shRlD
Name (-)-(S,4Rp,13Sp)-4-Bromo-13-(4-tert-butyloxazolin-2-yl)[2.2]paracyclophane
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Formula C23H26BrNO
InChI InChI=1S/C23H26BrNO/c1-23(2,3)21-14-26-22(25-21)19-12-15-4-5-16-7-9-18(20(24)13-16)11-10-17(19)8-6-15/h6-9,12-13,21H,4-5,10-11,14H2,1-3H3/t21-/m1/s1
InChIKey FZCJCEXCIWVPPC-OAQYLSRUSA-N
Literature Reference DOI 10.1002/adsc.200600233
Molecular Weight 412.371 g/mol
SMILES c12cc(c(CCc3ccc(CC2)cc3C=2OC[C@@](N2)(C(C)(C)C)[H])cc1)Br
SPLASH splash10-01t9-0192500000-47e9e75c674499f98c3d
Source of Spectrum ASC-348-2098-12
Wiley ID 1764970