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1,4-Epoxybenzocyclododecene-2,3-dicarboxylic acid, 1,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-, dimethyl ester
SpectraBase Compound ID 8l50hLfDB0g
InChI InChI=1S/C20H28O5/c1-23-19(21)15-16(20(22)24-2)18-14-12-10-8-6-4-3-5-7-9-11-13(14)17(15)25-18/h17-18H,3-12H2,1-2H3
InChIKey IDGGBMJWAIPGJB-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OHWwSiqCLe
Name 1,4-Epoxybenzocyclododecene-2,3-dicarboxylic acid, 1,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-, dimethyl ester
Alternate Name(s) Dimethyl ester of 17-oxatricyclo[12.2.1.0(2,13)]heptadeca-2(13),15-diene-15,16-dicarboxylic acid dimethyl 17-oxatricyclo[12.2.1.0(2,13)]heptadeca-2(13),15-diene-15,16-dicarboxylate Dimethyl ester of 15-oxapentacyclop[10.5.0.0(1,16).0(12,14).0(13,17)]heptadecane-13,17-dicarboxylic acid
CAS Registry Number 91572-95-1
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-23-19(21)15-16(20(22)24-2)18-14-12-10-8-6-4-3-5-7-9-11-13(14)17(15)25-18/h17-18H,3-12H2,1-2H3
InChIKey IDGGBMJWAIPGJB-UHFFFAOYSA-N
Molecular Weight 348.439 g/mol
SMILES C1(=C(C2OC1C1=C2CCCCCCCCCC1)C(=O)OC)C(=O)OC
SPLASH splash10-000i-0091000000-6179a21a298e7c57cafc
Source of Spectrum K-117-2297-0
Wiley ID 1340715