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5-(3-(Methoxycarbonyl)allyl)-5-(3-oxobutyl)-2(3H)-dihydrofuranone
SpectraBase Compound ID EQQIhM0HDbL
InChI InChI=1S/C13H18O5/c1-10(14)5-8-13(9-6-12(16)18-13)7-3-4-11(15)17-2/h3-4H,5-9H2,1-2H3/b4-3+
InChIKey QBBSVDSOMOYEOO-ONEGZZNKSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkhLHXee7Kf
Name 5-(3-(Methoxycarbonyl)allyl)-5-(3-oxobutyl)-2(3H)-dihydrofuranone
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Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-10(14)5-8-13(9-6-12(16)18-13)7-3-4-11(15)17-2/h3-4H,5-9H2,1-2H3/b4-3+
InChIKey QBBSVDSOMOYEOO-ONEGZZNKSA-N
Molecular Weight 254.282 g/mol
SMILES C1(OC(CC1)(CCC(=O)C)C\C=C\C(=O)OC)=O
SPLASH splash10-056u-7900000000-495b3ddf20c3e567d711
Source of Spectrum F-50-8149-16
Synonyms Methyl (2E)-4-[5-oxo-2-(3-oxobutyl)tetrahydro-2-furanyl]-2-butenoate
Wiley ID 1257534