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(2S,5R,6S)-5-Benzyloxy-5-ethylheptane-1,2,6-triol
SpectraBase Compound ID 6IINYzMckSI
InChI InChI=1S/C16H26O4/c1-3-16(13(2)18,10-9-15(19)11-17)20-12-14-7-5-4-6-8-14/h4-8,13,15,17-19H,3,9-12H2,1-2H3/t13-,15-,16+/m0/s1
InChIKey SKBXZQDZTYFBDJ-CWRNSKLLSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDmwoXelhcI
Name (2S,5R,6S)-5-Benzyloxy-5-ethylheptane-1,2,6-triol
Alternate Name(s) 3-O-benzyl-1,4,5-trideoxy-3-C-ethyl-D-ribo-heptitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-3-16(13(2)18,10-9-15(19)11-17)20-12-14-7-5-4-6-8-14/h4-8,13,15,17-19H,3,9-12H2,1-2H3/t13-,15-,16+/m0/s1
InChIKey SKBXZQDZTYFBDJ-CWRNSKLLSA-N
Molecular Weight 282.380 g/mol
SMILES O[C@](CO)(CC[C@@](OCc1ccccc1)([C@@](O)(C)[H])CC)[H]
SPLASH splash10-0006-9000000000-6334213d9b5394c18d02
Source of Spectrum E1-37-1714-0
Wiley ID 1517863