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9,10-Ethanoanthracene-11-carboxylic acid, 9,10-dibromo-9,10-dihydro-, ethyl ester
SpectraBase Compound ID FNu6mUNxgDP
InChI InChI=1S/C19H16Br2O2/c1-2-23-17(22)16-11-18(20)12-7-3-5-9-14(12)19(16,21)15-10-6-4-8-13(15)18/h3-10,16H,2,11H2,1H3
InChIKey JMSVYJNGQJDOIN-UHFFFAOYSA-N
Mol Weight 436.14 g/mol
Molecular Formula C19H16Br2O2
Exact Mass 433.951706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUeEgDkZfON
Name 9,10-Ethanoanthracene-11-carboxylic acid, 9,10-dibromo-9,10-dihydro-, ethyl ester
Alternate Name(s) ethyl 1,8-dibromotetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CAS Registry Number 113160-97-7
Comments Less than 3 mono-isotopic peaks
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Formula C19H16Br2O2
InChI InChI=1S/C19H16Br2O2/c1-2-23-17(22)16-11-18(20)12-7-3-5-9-14(12)19(16,21)15-10-6-4-8-13(15)18/h3-10,16H,2,11H2,1H3
InChIKey JMSVYJNGQJDOIN-UHFFFAOYSA-N
Molecular Weight 436.143 g/mol
SMILES C12(C(CC(c3c2cccc3)(Br)c2c1cccc2)C(=O)OCC)Br
SPLASH splash10-000i-0009000000-0417b3df869af66bb768
Source of Spectrum J-54-1029-2
Wiley ID 1382837