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5-tert-Butyl-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane
SpectraBase Compound ID 9C8xP8b0rOX
InChI InChI=1S/C28H32O/c1-28(2,3)25-18-23-14-12-21-10-7-11-22(16-21)13-15-24(19-25)27(23)26(29)17-20-8-5-4-6-9-20/h4-11,16,18-19,26,29H,12-15,17H2,1-3H3
InChIKey ALGCHIKMOQZBIM-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C28H32O
Exact Mass 384.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMS0VdFOgaD
Name 5-tert-Butyl-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane
Alternate Name(s) 1-[13-tert-butyltricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]-2-phenylethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O
InChI InChI=1S/C28H32O/c1-28(2,3)25-18-23-14-12-21-10-7-11-22(16-21)13-15-24(19-25)27(23)26(29)17-20-8-5-4-6-9-20/h4-11,16,18-19,26,29H,12-15,17H2,1-3H3
InChIKey ALGCHIKMOQZBIM-UHFFFAOYSA-N
Molecular Weight 384.563 g/mol
SMILES OC(c1c2CCc3cc(CCc1cc(c2)C(C)(C)C)ccc3)Cc1ccccc1
SPLASH splash10-03di-0094000000-7a7e527d2ba9055b37e3
Source of Spectrum KC-0-1889-3
Wiley ID 786099