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4-Phenanthrenol, 1,3,6,8-tetrakis(1,1-dimethylethyl)-5-methoxy-
SpectraBase Compound ID DkU2tefz8CN
InChI InChI=1S/C31H44O2/c1-28(2,3)20-16-22(30(7,8)9)26(32)24-18(20)14-15-19-21(29(4,5)6)17-23(31(10,11)12)27(33-13)25(19)24/h14-17,32H,1-13H3
InChIKey FLNOIHPBBVIKJW-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C31H44O2
Exact Mass 448.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5WoOK6ajce
Name 4-Phenanthrenol, 1,3,6,8-tetrakis(1,1-dimethylethyl)-5-methoxy-
CAS Registry Number 118190-29-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O2
InChI InChI=1S/C31H44O2/c1-28(2,3)20-16-22(30(7,8)9)26(32)24-18(20)14-15-19-21(29(4,5)6)17-23(31(10,11)12)27(33-13)25(19)24/h14-17,32H,1-13H3
InChIKey FLNOIHPBBVIKJW-UHFFFAOYSA-N
Molecular Weight 448.691 g/mol
SMILES Oc1c2c3c(c(C(C)(C)C)cc(c3OC)C(C)(C)C)ccc2c(C(C)(C)C)cc1C(C)(C)C
SPLASH splash10-000t-0000900000-a1c7558f80e1919b02e9
Source of Spectrum KC-1988-1848-3
Synonyms 1,3,6,8-tetratert-butyl-5-methoxy-4-phenanthrenol 5-Methoxy-1,3,6,8-tetra-t-butylphenanthren-4-ol
Wiley ID 1387373