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1-(Ethoxycarbonyl)-2-ethylcyclohexene-4,5-dicarboxylic acid - Anhydride
SpectraBase Compound ID LIDQLjMQKaP
InChI InChI=1S/C13H16O5/c1-3-7-5-9-10(13(16)18-12(9)15)6-8(7)11(14)17-4-2/h9-10H,3-6H2,1-2H3
InChIKey KOIRPFZDSAWOJZ-UHFFFAOYSA-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 4cEBs9RBjKQ
Name 1-(Ethoxycarbonyl)-2-ethylcyclohexene-4,5-dicarboxylic acid - Anhydride
Alternate Name(s) Ethyl 6-ethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-carboxylate
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-3-7-5-9-10(13(16)18-12(9)15)6-8(7)11(14)17-4-2/h9-10H,3-6H2,1-2H3
InChIKey KOIRPFZDSAWOJZ-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C1(OC(C2CC(=C(CC12)C(=O)OCC)CC)=O)=O
SPLASH splash10-0a4i-0970000000-d378029ab80d41b6b8cf
Source of Spectrum K1-2003-846-23
Wiley ID 1520750