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S-(E)-elenolide
SpectraBase Compound ID EAl3hmaHvOK
InChI InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3-/t8-/m0/s1
InChIKey TXTINTVPMBCGKO-PFPYCLJUSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuZQXbWTclU
Name S-(E)-elenolide
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 224.068473481 u
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-3-7(5-12)8-4-10(13)16-6-9(8)11(14)15-2/h3,5-6,8H,4H2,1-2H3/b7-3-/t8-/m0/s1
InChIKey TXTINTVPMBCGKO-PFPYCLJUSA-N
Instrument Name Hewlett-Packard 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.9770
Molecular Weight 224.212 g/mol
Number of Peaks 104
SMILES C=1([C@@](CC(OC1)=O)(\C(C=O)=C/C)[H])C(OC)=O
SPLASH splash10-03y0-4900000000-23fbb32cd4b79a620886
Source of Spectrum SFA-99-SM9-11 (DOI: 10.1002/jsfa.9770)
Wiley ID 1838704