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2-[(3-hydroxy-1-cyclohexenyl)methyl]propanedioic acid dimethyl ester
SpectraBase Compound ID BS1UNT26jL8
InChI InChI=1S/C12H18O5/c1-16-11(14)10(12(15)17-2)7-8-4-3-5-9(13)6-8/h6,9-10,13H,3-5,7H2,1-2H3
InChIKey DHVMZUMUJAVRDQ-UHFFFAOYSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJxjKHZoXNW
Name 2-[(3-hydroxy-1-cyclohexenyl)methyl]propanedioic acid dimethyl ester
Alternate Name(s) 2-[(3-hydroxycyclohexen-1-yl)methyl]malonic acid dimethyl ester Dimethyl 2-[(3-hydroxycyclohexen-1-yl)methyl]propanedioate Dimethyl 2-[(3-oxidanylcyclohexen-1-yl)methyl]propanedioate
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Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-16-11(14)10(12(15)17-2)7-8-4-3-5-9(13)6-8/h6,9-10,13H,3-5,7H2,1-2H3
InChIKey DHVMZUMUJAVRDQ-UHFFFAOYSA-N
Molecular Weight 242.271 g/mol
SMILES OC1C=C(CCC1)CC(C(=O)OC)C(=O)OC
SPLASH splash10-03di-0910000000-309411c9d142496eb39b
Source of Spectrum KC-1993-897-28
Wiley ID 779338