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(2S,3S,4R)-3-(phenylmethoxy)-6-heptene-1,2,4-triol
SpectraBase Compound ID 6NeW1XFxKL9
InChI InChI=1S/C14H20O4/c1-2-6-12(16)14(13(17)9-15)18-10-11-7-4-3-5-8-11/h2-5,7-8,12-17H,1,6,9-10H2/t12-,13+,14+/m1/s1
InChIKey FTGDWQHXPUWCLO-RDBSUJKOSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiDwl2GuU6R
Name (2S,3S,4R)-3-(phenylmethoxy)-6-heptene-1,2,4-triol
Alternate Name(s) 3-O-benzyl-5,6,7-trideoxy-D-xylo-hept-6-enitol
CAS Registry Number 120520-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-2-6-12(16)14(13(17)9-15)18-10-11-7-4-3-5-8-11/h2-5,7-8,12-17H,1,6,9-10H2/t12-,13+,14+/m1/s1
InChIKey FTGDWQHXPUWCLO-RDBSUJKOSA-N
Molecular Weight 252.310 g/mol
SMILES O[C@@](CO)([C@@](OCc1ccccc1)([C@](O)(CC=C)[H])[H])[H]
SPLASH splash10-0006-9200000000-89df744926d6522d9e80
Source of Spectrum J-54-4105-11
Wiley ID 1255598