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(4S,5S)-(4-Bromobenzyl)-2,2-dimethyl-1,3-dioxane-5-ol
SpectraBase Compound ID 2Mkiv6LPtZG
InChI InChI=1S/C13H17BrO3/c1-13(2)16-8-11(15)12(17-13)7-9-3-5-10(14)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey SMPPVYBQYRVARS-RYUDHWBXSA-N
Mol Weight 301.18 g/mol
Molecular Formula C13H17BrO3
Exact Mass 300.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpeZ6QUkImS
Name (4S,5S)-(4-Bromobenzyl)-2,2-dimethyl-1,3-dioxane-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO3
InChI InChI=1S/C13H17BrO3/c1-13(2)16-8-11(15)12(17-13)7-9-3-5-10(14)6-4-9/h3-6,11-12,15H,7-8H2,1-2H3/t11-,12-/m0/s1
InChIKey SMPPVYBQYRVARS-RYUDHWBXSA-N
Molecular Weight 301.180 g/mol
SMILES O[C@@]1([C@@](OC(OC1)(C)C)(Cc1ccc(cc1)Br)[H])[H]
SPLASH splash10-0a4i-9820000000-056638b9b05803c41d41
Source of Spectrum K1-2004-1736-3
Synonyms (4S,5S)-4-(4-bromobenzyl)-2,2-dimethyl-1,3-dioxan-5-ol
Wiley ID 1560678