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(6S,7R,E)-diethyl 6,7-dihydroxyoct-2-en-4-ynedioate
SpectraBase Compound ID Vqkl5DwV9l
InChI InChI=1S/C12H16O6/c1-3-17-10(14)8-6-5-7-9(13)11(15)12(16)18-4-2/h6,8-9,11,13,15H,3-4H2,1-2H3/b8-6+/t9-,11+/m0/s1
InChIKey RDUJNTLDFIRLHR-HBUNZAKRSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8MpSCZqInK
Name (6S,7R,E)-diethyl 6,7-dihydroxyoct-2-en-4-ynedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-3-17-10(14)8-6-5-7-9(13)11(15)12(16)18-4-2/h6,8-9,11,13,15H,3-4H2,1-2H3/b8-6+/t9-,11+/m0/s1
InChIKey RDUJNTLDFIRLHR-HBUNZAKRSA-N
Literature Reference DOI 10.1002/adsc.200700122
Molecular Weight 256.254 g/mol
SMILES O[C@]([C@@](O)(C#C\C=C\C(OCC)=O)[H])(C(OCC)=O)[H]
SPLASH splash10-0udi-9700000000-825950e431adafb4ca75
Source of Spectrum ASC-349-2365-21
Wiley ID 1765406