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(Sp,S)-5-[(1'-Phenylethylamino)methyl]-4-hydroxy[2.2]paracyclophane

View entire compound with spectra: 2 MS (GC)

(Sp,S)-5-[(1'-Phenylethylamino)methyl]-4-hydroxy[2.2]paracyclophane
SpectraBase Compound ID EjFsuMr2HVN
InChI InChI=1S/C25H27NO/c1-18(21-5-3-2-4-6-21)26-17-24-22-13-11-19-7-9-20(10-8-19)12-14-23(16-15-22)25(24)27/h2-10,15-16,18,26-27H,11-14,17H2,1H3/t18-/m0/s1
InChIKey PREHUMFPGUKBMR-SFHVURJKSA-N
Mol Weight 357.5 g/mol
Molecular Formula C25H27NO
Exact Mass 357.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NoTSDyluHr
Name (Sp,S)-5-[(1'-Phenylethylamino)methyl]-4-hydroxy[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27NO
InChI InChI=1S/C25H27NO/c1-18(21-5-3-2-4-6-21)26-17-24-22-13-11-19-7-9-20(10-8-19)12-14-23(16-15-22)25(24)27/h2-10,15-16,18,26-27H,11-14,17H2,1H3/t18-/m0/s1
InChIKey PREHUMFPGUKBMR-SFHVURJKSA-N
Molecular Weight 357.497 g/mol
SMILES Oc1c(CN[C@](c2ccccc2)(C)[H])c2CCc3ccc(CCc1cc2)cc3
SPLASH splash10-0pb9-0639000000-72f46156528dbddbf078
Source of Spectrum KD-12-2848-10
Synonyms (Sp,R)-5-[(1'-Phenylethylamino)methyl]-4-hydroxy[2.2]paracyclophane
Wiley ID 1634774