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(4R,6S)-2,2-dimethyl-4-[(2R)-2-phenylmethoxypent-4-ynyl]-6-(3-phenylmethoxypropyl)-1,3-dioxane
SpectraBase Compound ID BnksnLSdUoI
InChI InChI=1S/C28H36O4/c1-4-12-25(30-22-24-15-9-6-10-16-24)19-27-20-26(31-28(2,3)32-27)17-11-18-29-21-23-13-7-5-8-14-23/h1,5-10,13-16,25-27H,11-12,17-22H2,2-3H3/t25-,26+,27-/m1/s1
InChIKey JPBWWWQAKHPRLK-KWXIBIRDSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H36O4
Exact Mass 436.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LljMXLHxScR
Name (4R,6S)-2,2-dimethyl-4-[(2R)-2-phenylmethoxypent-4-ynyl]-6-(3-phenylmethoxypropyl)-1,3-dioxane
Alternate Name(s) (4R,6S)-4-[(2R)-2-benzoxypent-4-ynyl]-6-(3-benzoxypropyl)-2,2-dimethyl-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O4
InChI InChI=1S/C28H36O4/c1-4-12-25(30-22-24-15-9-6-10-16-24)19-27-20-26(31-28(2,3)32-27)17-11-18-29-21-23-13-7-5-8-14-23/h1,5-10,13-16,25-27H,11-12,17-22H2,2-3H3/t25-,26+,27-/m1/s1
InChIKey JPBWWWQAKHPRLK-KWXIBIRDSA-N
Molecular Weight 436.592 g/mol
SMILES C1(O[C@](C[C@](OCc2ccccc2)(CC#C)[H])(C[C@@](O1)(CCCOCc1ccccc1)[H])[H])(C)C
SPLASH splash10-001l-9800000000-18d01bd1fd56e2f49135
Source of Spectrum CV-2003-952-60
Wiley ID 1610962