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1-(.alpha.-Hydroxybenzyl)triptycene
SpectraBase Compound ID FJvFxrQDr10
InChI InChI=1S/C27H20O/c28-27(17-9-2-1-3-10-17)23-16-8-15-22-24-18-11-4-6-13-20(18)25(26(22)23)21-14-7-5-12-19(21)24/h1-16,24-25,27-28H/t24-,25+,27?
InChIKey PWWTZSXCUKPRRU-YHQISMHQSA-N
Mol Weight 360.46 g/mol
Molecular Formula C27H20O
Exact Mass 360.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYXbDfbH7Cx
Name 1-(.alpha.-Hydroxybenzyl)triptycene
Alternate Name(s) Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-3-yl(phenyl)methanol
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Formula C27H20O
InChI InChI=1S/C27H20O/c28-27(17-9-2-1-3-10-17)23-16-8-15-22-24-18-11-4-6-13-20(18)25(26(22)23)21-14-7-5-12-19(21)24/h1-16,24-25,27-28H/t24-,25+,27?
InChIKey PWWTZSXCUKPRRU-YHQISMHQSA-N
Molecular Weight 360.456 g/mol
SMILES OC(c1c2[C@]3(c4ccccc4[C@@](c2ccc1)(c1ccccc31)[H])[H])c1ccccc1
SPLASH splash10-0ik9-0039000000-888d58148fa2ed385313
Source of Spectrum KC-0-567-1
Wiley ID 785144