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(Rp,R,S)-5-[1'-(1"-Phenylethylamino)ethyl]-4-hydroxy[2.2]paracyclophane
SpectraBase Compound ID 1Aj54LmLuCh
InChI InChI=1S/C26H29NO/c1-18(22-6-4-3-5-7-22)27-19(2)25-23-14-12-20-8-10-21(11-9-20)13-15-24(17-16-23)26(25)28/h3-11,16-19,27-28H,12-15H2,1-2H3/t18-,19+/m0/s1
InChIKey OQRJOLPVZGWELE-RBUKOAKNSA-N
Mol Weight 371.52 g/mol
Molecular Formula C26H29NO
Exact Mass 371.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ9fNKoTJlx
Name (Rp,R,S)-5-[1'-(1"-Phenylethylamino)ethyl]-4-hydroxy[2.2]paracyclophane
Alternate Name(s) (Sp,S,R)-5-[1'-(1''-Phenylethylamino)ethyl]-4-hydroxy[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29NO
InChI InChI=1S/C26H29NO/c1-18(22-6-4-3-5-7-22)27-19(2)25-23-14-12-20-8-10-21(11-9-20)13-15-24(17-16-23)26(25)28/h3-11,16-19,27-28H,12-15H2,1-2H3/t18-,19+/m0/s1
InChIKey OQRJOLPVZGWELE-RBUKOAKNSA-N
Molecular Weight 371.524 g/mol
SMILES N([C@@](c1c(c2ccc1CCc1ccc(CC2)cc1)O)(C)[H])[C@](c1ccccc1)(C)[H]
SPLASH splash10-0fka-0906000000-18e0eae050d119bd13ab
Source of Spectrum KD-12-2849-11
Wiley ID 1634743