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Bicyclo[10.2.2]hexadeca-12,14,15-triene-13,14-dicarboxylic acid, 15-hydroxy-, dimethyl ester
SpectraBase Compound ID Jhv3QwEf37f
InChI InChI=1S/C20H28O5/c1-24-19(22)17-14-11-9-7-5-3-4-6-8-10-12-15(16(21)13-14)18(17)20(23)25-2/h13,21H,3-12H2,1-2H3
InChIKey FWXISYCADUBECP-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 HzEinvp94w
Name Bicyclo[10.2.2]hexadeca-12,14,15-triene-13,14-dicarboxylic acid, 15-hydroxy-, dimethyl ester
Alternate Name(s) dimethyl 15-hydroxybicyclo[10.2.2]hexadeca-1(14),12,15-triene-13,14-dicarboxylate Dimethyl ester of 15-hydroxybicyclo[10.2.2]hexadeca-1(14),12,15-triene-13,14-dicarboxylic acid Dimethyl ester of 15-hydroxy[10]paracyclophane-12,13-dicarboxylic acid
CAS Registry Number 91590-49-7
Comments Less than 3 mono-isotopic peaks
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Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-24-19(22)17-14-11-9-7-5-3-4-6-8-10-12-15(16(21)13-14)18(17)20(23)25-2/h13,21H,3-12H2,1-2H3
InChIKey FWXISYCADUBECP-UHFFFAOYSA-N
Molecular Weight 348.439 g/mol
SMILES Oc1c2c(c(c(CCCCCCCCCC2)c1)C(=O)OC)C(=O)OC
SPLASH splash10-014i-0009000000-192f8fff5a4b7db00f78
Source of Spectrum K-117-2298-0
Wiley ID 1340718