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(S,Sp)-4-Bromo-N-(1-hydroxy-3-dimethyl-2-butyl)[2.2]paracyclophane-12-carboxamide

View entire compound with spectra: 2 MS (GC)

(S,Sp)-4-Bromo-N-(1-hydroxy-3-dimethyl-2-butyl)[2.2]paracyclophane-12-carboxamide
SpectraBase Compound ID 98MEObH0qQR
InChI InChI=1S/C23H28BrNO2/c1-23(2,3)21(14-26)25-22(27)19-12-15-4-8-17(19)9-5-16-7-11-18(10-6-15)20(24)13-16/h4,7-8,11-13,21,26H,5-6,9-10,14H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKey BMQZYZSTURPAPE-OAQYLSRUSA-N
Mol Weight 430.39 g/mol
Molecular Formula C23H28BrNO2
Exact Mass 429.130342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtVhuGAU3Aw
Name (S,Sp)-4-Bromo-N-(1-hydroxy-3-dimethyl-2-butyl)[2.2]paracyclophane-12-carboxamide
Alternate Name(s) (S,Rp)-4-Bromo-N-(1-hydroxy-3-dimethyl-2-butyl)[2.2]paracyclophane-12-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28BrNO2
InChI InChI=1S/C23H28BrNO2/c1-23(2,3)21(14-26)25-22(27)19-12-15-4-8-17(19)9-5-16-7-11-18(10-6-15)20(24)13-16/h4,7-8,11-13,21,26H,5-6,9-10,14H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKey BMQZYZSTURPAPE-OAQYLSRUSA-N
Molecular Weight 430.386 g/mol
SMILES N(C(c1c2CCc3cc(c(CCc(c1)cc2)cc3)Br)=O)[C@](CO)(C(C)(C)C)[H]
SPLASH splash10-001j-0935300000-99c683fa3d9f1dcefacc
Source of Spectrum KD-14-1738-5
Wiley ID 1636118