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[1,1'-Biadamantane]-3,3'-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

[1,1'-Biadamantane]-3,3'-diol
SpectraBase Compound ID CVnPYZn2yiv
InChI InChI=1S/C20H30O2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16,21-22H,1-12H2/t13-,14+,15-,16+,17+,18+,19-,20-
InChIKey CBQQWGKYENSOHG-HOCNISKTSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID B98rb2iVuL
Name [1,1'-Biadamantane]-3,3'-diol
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 302.224580204 u
Formula C20H30O2
InChI InChI=1S/C20H30O2/c21-19-7-13-1-14(8-19)4-17(3-13,11-19)18-5-15-2-16(6-18)10-20(22,9-15)12-18/h13-16,21-22H,1-12H2/t13-,14+,15-,16+,17+,18+,19-,20-
InChIKey CBQQWGKYENSOHG-HOCNISKTSA-N
Molecular Weight 302.458 g/mol
SMILES O[C@@]12C[C@@]3(C[C@@](C[C@]([C@@]45C[C@@]6(C[C@](C[C@](C5)(C6)[H])(C4)O)[H])(C3)C2)(C1)[H])[H]
Spectrum/Structure Validation Score (Raman) 0.937424