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3-[4-(Bromomethyl)benzyl]-2,3-bis(benzyloxy)butane
SpectraBase Compound ID EZVu2kYwpGC
InChI InChI=1S/C26H29BrO2/c1-21(29-19-25-10-6-3-7-11-25)26(16-22-12-14-23(17-27)15-13-22)20-28-18-24-8-4-2-5-9-24/h2-15,21,26H,16-20H2,1H3/t21-,26+/m1/s1
InChIKey VKYZSAKIOMSJJN-RLWLMLJZSA-N
Mol Weight 453.42 g/mol
Molecular Formula C26H29BrO2
Exact Mass 452.135093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ehrd8gMh8m
Name 3-[4-(Bromomethyl)benzyl]-2,3-bis(benzyloxy)butane
Alternate Name(s) 1-((2S,3R)-3-Benzyloxy-2-benzyloxymethyl-butyl)-4-bromomethyl-benzene 1-[2,3-bis(benzyloxy)-2-methylbutyl]-4-(bromomethyl)benzene
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Formula C26H29BrO2
InChI InChI=1S/C26H29BrO2/c1-21(29-19-25-10-6-3-7-11-25)26(16-22-12-14-23(17-27)15-13-22)20-28-18-24-8-4-2-5-9-24/h2-15,21,26H,16-20H2,1H3/t21-,26+/m1/s1
InChIKey VKYZSAKIOMSJJN-RLWLMLJZSA-N
Molecular Weight 453.420 g/mol
SMILES [C@](Cc1ccc(cc1)CBr)([C@](OCc1ccccc1)(C)[H])(COCc1ccccc1)[H]
SPLASH splash10-0006-8910000000-2d8e4311edafbc8e919c
Source of Spectrum QE-5-3232-14
Wiley ID 844376