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4-[[4-Ethoxycarbonyl)-trans-3-butenyl]oxy]-6-methyl-2-pyrone
SpectraBase Compound ID DzmuIECgdHP
InChI InChI=1S/C13H16O5/c1-3-16-12(14)6-4-5-7-17-11-8-10(2)18-13(15)9-11/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+
InChIKey KNFKUGMUALWJOI-GQCTYLIASA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6R5wQyfGxsc
Name 4-[[4-Ethoxycarbonyl)-trans-3-butenyl]oxy]-6-methyl-2-pyrone
CAS Registry Number 136721-16-9
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-16-12(14)6-4-5-7-17-11-8-10(2)18-13(15)9-11/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+
InChIKey KNFKUGMUALWJOI-GQCTYLIASA-N
Molecular Weight 252.266 g/mol
SMILES C=1C(OC(=CC1OCC\C=C\C(=O)OCC)C)=O
SPLASH splash10-000i-9000000000-be48924820880b1d6048
Source of Spectrum J-56-7152-4
Synonyms ethyl (2E)-5-[(6-methyl-2-oxo-2H-pyran-4-yl)oxy]-2-pentenoate
Wiley ID 1255377