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(2Z,6S,7R)-7,8-Dihydroxy-5-oxa-6-heptyl-2-octenoic acid methyl ester
SpectraBase Compound ID 5F21HNgRjoC
InChI InChI=1S/C15H28O5/c1-3-4-5-6-7-9-14(13(17)12-16)20-11-8-10-15(18)19-2/h8,10,13-14,16-17H,3-7,9,11-12H2,1-2H3/b10-8-/t13-,14+/m0/s1
InChIKey SHXYXBNPMSJAAP-WWMKKXEUSA-N
Mol Weight 288.38 g/mol
Molecular Formula C15H28O5
Exact Mass 288.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G17jA8sYYrb
Name (2Z,6S,7R)-7,8-Dihydroxy-5-oxa-6-heptyl-2-octenoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O5
InChI InChI=1S/C15H28O5/c1-3-4-5-6-7-9-14(13(17)12-16)20-11-8-10-15(18)19-2/h8,10,13-14,16-17H,3-7,9,11-12H2,1-2H3/b10-8-/t13-,14+/m0/s1
InChIKey SHXYXBNPMSJAAP-WWMKKXEUSA-N
Molecular Weight 288.384 g/mol
SMILES O[C@@](CO)([C@](OC\C=C/C(=O)OC)(CCCCCCC)[H])[H]
SPLASH splash10-002b-9640000000-67d0e2430dd72aea59cb
Source of Spectrum QA-41-453-5
Synonyms Methyl (2Z)-4-({(1R)-1-[(1S)-1,2-dihydroxyethyl]octyl}oxy)-2-butenoate
Wiley ID 861782