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5-tert-Butyl-13-methoxy-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane
SpectraBase Compound ID 3TezGsAjfNw
InChI InChI=1S/C29H34O2/c1-29(2,3)25-18-23-12-10-21-14-22(16-26(15-21)31-4)11-13-24(19-25)28(23)27(30)17-20-8-6-5-7-9-20/h5-9,14-16,18-19,27,30H,10-13,17H2,1-4H3
InChIKey ONMCRTYKVFPAOI-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C29H34O2
Exact Mass 414.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YOSGIWzr5n
Name 5-tert-Butyl-13-methoxy-8-(1-hydroxy-2-phenylethyl)[2.2]metacyclophane
Alternate Name(s) 1-[13-tert-butyl-6-methoxytricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-15-yl]-2-phenylethanol
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Formula C29H34O2
InChI InChI=1S/C29H34O2/c1-29(2,3)25-18-23-12-10-21-14-22(16-26(15-21)31-4)11-13-24(19-25)28(23)27(30)17-20-8-6-5-7-9-20/h5-9,14-16,18-19,27,30H,10-13,17H2,1-4H3
InChIKey ONMCRTYKVFPAOI-UHFFFAOYSA-N
Molecular Weight 414.589 g/mol
SMILES OC(c1c2CCc3cc(CCc1cc(c2)C(C)(C)C)cc(c3)OC)Cc1ccccc1
SPLASH splash10-000l-0090000000-6c2a489398beed2d8f6c
Source of Spectrum KC-0-1889-3
Wiley ID 786096