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Phenol, 2-(3-bromo-2,2,5-trimethylcyclopentyl)-5-methyl-, (1.alpha.,3.beta.,5.beta.)-(-)-
SpectraBase Compound ID ILOkLISnkgQ
InChI InChI=1S/C15H21BrO/c1-9-5-6-11(12(17)7-9)14-10(2)8-13(16)15(14,3)4/h5-7,10,13-14,17H,8H2,1-4H3/t10-,13+,14-/m1/s1
InChIKey MHWOCCKVFMTBKE-DDTOSNHZSA-N
Mol Weight 297.24 g/mol
Molecular Formula C15H21BrO
Exact Mass 296.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaNlaWBW9Gj
Name Phenol, 2-(3-bromo-2,2,5-trimethylcyclopentyl)-5-methyl-, (1.alpha.,3.beta.,5.beta.)-(-)-
CAS Registry Number 125092-26-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO
InChI InChI=1S/C15H21BrO/c1-9-5-6-11(12(17)7-9)14-10(2)8-13(16)15(14,3)4/h5-7,10,13-14,17H,8H2,1-4H3/t10-,13+,14-/m1/s1
InChIKey MHWOCCKVFMTBKE-DDTOSNHZSA-N
Molecular Weight 297.236 g/mol
SMILES Oc1c([C@@]2(C([C@@](Br)(C[C@]2(C)[H])[H])(C)C)[H])ccc(C)c1
SPLASH splash10-007a-0900000000-26901616ef3c02623f47
Source of Spectrum B-42-1693-14
Synonyms (1*R,3'R*)-2-[3'-bromo-1',2',2'-trimethylcyclopentyl]-5-methylphenol 2-[(1R,3S,5R)-3-bromo-2,2,5-trimethylcyclopentyl]-5-methylphenol
Wiley ID 1298889