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(4S,5R)-1-(Methoxycarbonyl)-2-ethylcyclohexene-4,5-dicarboxylic acid-Anhydride
SpectraBase Compound ID 7kMjA0dJR3W
InChI InChI=1S/C12H14O5/c1-3-6-4-8-9(12(15)17-11(8)14)5-7(6)10(13)16-2/h8-9H,3-5H2,1-2H3/t8-,9+/m0/s1
InChIKey AGNCSTYVNULMSF-DTWKUNHWSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErfTxo6UaK1
Name (4S,5R)-1-(Methoxycarbonyl)-2-ethylcyclohexene-4,5-dicarboxylic acid-Anhydride
Alternate Name(s) 1-(Methoxycarbonyl)-2-ethylcyclohexene-4,5-dicarboxylic acid-Anhydride Methyl (3aR,7aS)-6-ethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-carboxylate
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Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-3-6-4-8-9(12(15)17-11(8)14)5-7(6)10(13)16-2/h8-9H,3-5H2,1-2H3/t8-,9+/m0/s1
InChIKey AGNCSTYVNULMSF-DTWKUNHWSA-N
Molecular Weight 238.239 g/mol
SMILES C1(OC([C@]2(CC(=C(C[C@@]12[H])C(=O)OC)CC)[H])=O)=O
SPLASH splash10-0ab9-0690000000-96aa102546ca8cc100fb
Source of Spectrum K1-2003-846-23
Wiley ID 1520752