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5-[(E)-3-keto-3-methoxy-prop-1-enoxy]-6-methyl-enanthic acid
SpectraBase Compound ID GwarnMIn8dS
InChI InChI=1S/C12H20O5/c1-9(2)10(5-4-6-11(13)14)17-8-7-12(15)16-3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+
InChIKey WBMMDFDQQDUEGM-BQYQJAHWSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaieVflng4j
Name 5-[(E)-3-keto-3-methoxy-prop-1-enoxy]-6-methyl-enanthic acid
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821057
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-9(2)10(5-4-6-11(13)14)17-8-7-12(15)16-3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7+
InChIKey WBMMDFDQQDUEGM-BQYQJAHWSA-N
Molecular Weight 244.287 g/mol
SMILES OC(CCCC(O\C=C\C(=O)OC)C(C)C)=O
SPLASH splash10-001r-9100000000-125637db09da5fa803df
Source of Spectrum SK-26-4691-2
Synonyms 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enoxy]-6-methyl-heptanoic acid 5-[(E)-3-methoxy-3-oxo-prop-1-enoxy]-6-methyl-heptanoic acid
Wiley ID 867488