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Methyl 7-hydroxtethyl-5-methoxy-3-oxobicyclo[4.2.0]oct-4-en-1-carboxylate
SpectraBase Compound ID ICSO8DbfMqk
InChI InChI=1S/C13H18O5/c1-17-10-5-9(15)7-13(12(16)18-2)6-8(3-4-14)11(10)13/h5,8,11,14H,3-4,6-7H2,1-2H3/t8-,11+,13+/m0/s1
InChIKey BLTZFZDKZKUVGO-RLCGTCKNSA-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 CMCuTfG3j2l
Name Methyl 7-hydroxtethyl-5-methoxy-3-oxobicyclo[4.2.0]oct-4-en-1-carboxylate
Alternate Name(s) (1R,6S,7R)-7-(2-Hydroxy-ethyl)-5-methoxy-3-oxo-bicyclo[4.2.0]oct-4-ene-1-carboxylic acid methyl ester (1S,6R,8R)-8-(2-hydroxyethyl)-2-methoxy-4-oxo-6-bicyclo[4.2.0]oct-2-enecarboxylic acid methyl ester Methyl (1S,6R,8R)-8-(2-hydroxyethyl)-2-methoxy-4-oxobicyclo[4.2.0]oct-2-ene-6-carboxylate Methyl (1S,6R,8R)-8-(2-hydroxyethyl)-2-methoxy-4-oxo-bicyclo[4.2.0]oct-2-ene-6-carboxylate Methyl (1S,6R,8R)-8-(2-hydroxyethyl)-2-methoxy-4-oxidanylidene-bicyclo[4.2.0]oct-2-ene-6-carboxylate
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Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-17-10-5-9(15)7-13(12(16)18-2)6-8(3-4-14)11(10)13/h5,8,11,14H,3-4,6-7H2,1-2H3/t8-,11+,13+/m0/s1
InChIKey BLTZFZDKZKUVGO-RLCGTCKNSA-N
Molecular Weight 254.282 g/mol
SMILES OCC[C@]1(C[C@@]2([C@]1(C(OC)=CC(C2)=O)[H])C(=O)OC)[H]
SPLASH splash10-001i-0910000000-70b5c610ff2f136d6be4
Source of Spectrum SO-0-1240-3
Wiley ID 863945