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1-(1,3-benzodioxol-5-yl)-2-keto-cyclopentanecarboxylic acid allyl ester
SpectraBase Compound ID ELm4Kg4qEEA
InChI InChI=1S/C16H16O5/c1-2-8-19-15(18)16(7-3-4-14(16)17)11-5-6-12-13(9-11)21-10-20-12/h2,5-6,9H,1,3-4,7-8,10H2
InChIKey LCPKEPQZLZCRTE-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Kl0RYV6x94
Name 1-(1,3-benzodioxol-5-yl)-2-keto-cyclopentanecarboxylic acid allyl ester
Alternate Name(s) 1-(1,3-benzodioxol-5-yl)-2-oxo-1-cyclopentanecarboxylic acid prop-2-enyl ester allyl 1-(1,3-benzodioxol-5-yl)-2-oxo-cyclopentanecarboxylate prop-2-enyl 1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-cyclopentane-1-carboxylate prop-2-enyl 1-(1,3-benzodioxol-5-yl)-2-oxocyclopentane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-2-8-19-15(18)16(7-3-4-14(16)17)11-5-6-12-13(9-11)21-10-20-12/h2,5-6,9H,1,3-4,7-8,10H2
InChIKey LCPKEPQZLZCRTE-UHFFFAOYSA-N
Molecular Weight 288.299 g/mol
SMILES C1(c2cc3OCOc3cc2)(C(=O)OCC=C)C(=O)CCC1
SPLASH splash10-000i-0090000000-344f64a6060f5b26b8f0
Source of Spectrum J-60-3059-11
Wiley ID 1291694