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Dimethyl bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene-4,5-dicarboxylate
SpectraBase Compound ID 1ZqdFdCQont
InChI InChI=1S/C17H16O4/c1-20-16(18)14-9-8-12-6-4-3-5-7-13(10-12)11-15(14)17(19)21-2/h3-9,11H,10H2,1-2H3/b4-3-,5-3-,6-4-,7-5-,9-8-,12-6-,12-8-,13-7+,13-11-,14-9+,15-11+,15-14-
InChIKey BMHSRVJTXIMSSN-NJSBNHTOSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkdfDTuCrW8
Name Dimethyl bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene-4,5-dicarboxylate
Alternate Name(s) Dimethyl bicyclo[5.5.1]trideca-1(12),2,4,6,8,10-hexaene-3,4-dicarboxylate
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Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-20-16(18)14-9-8-12-6-4-3-5-7-13(10-12)11-15(14)17(19)21-2/h3-9,11H,10H2,1-2H3/b4-3-,5-3-,6-4-,7-5-,9-8-,12-6-,12-8-,13-7+,13-11-,14-9+,15-11+,15-14-
InChIKey BMHSRVJTXIMSSN-NJSBNHTOSA-N
Molecular Weight 284.311 g/mol
SMILES C1\C2=C/C=C\(\C(=C/C1=C\C=C/C=C\2)C(=O)OC)C(=O)OC
SPLASH splash10-0gc0-0940000000-8c74de253aed9711d189
Source of Spectrum H-84-1042-3
Wiley ID 847621