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Ethyl (2E,5S,6R)-7-alloxy-5-hydroxy-6-methyl-2-heptenoate
SpectraBase Compound ID JXbTQtja0Wb
InChI InChI=1S/C13H22O4/c1-4-9-16-10-11(3)12(14)7-6-8-13(15)17-5-2/h4,6,8,11-12,14H,1,5,7,9-10H2,2-3H3/b8-6+/t11-,12+/m1/s1
InChIKey UICANHCRNDSKQQ-OWVOXGNYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlWb9nRlYpd
Name Ethyl (2E,5S,6R)-7-alloxy-5-hydroxy-6-methyl-2-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-4-9-16-10-11(3)12(14)7-6-8-13(15)17-5-2/h4,6,8,11-12,14H,1,5,7,9-10H2,2-3H3/b8-6+/t11-,12+/m1/s1
InChIKey UICANHCRNDSKQQ-OWVOXGNYSA-N
Molecular Weight 242.315 g/mol
SMILES O[C@]([C@@](COCC=C)(C)[H])(C\C=C\C(=O)OCC)[H]
SPLASH splash10-03dr-4900000000-d508ef68ec8f71f3147a
Source of Spectrum QB-20-219-9
Synonyms Ethyl (2E,5S,6R)-7-(allyloxy)-5-hydroxy-6-methyl-2-heptenoate
Wiley ID 842177