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Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carboxylic acid, 11-bromo-, 1,1-dimethylethyl ester
SpectraBase Compound ID 270mkRdkMUL
InChI InChI=1S/C16H17BrO2/c1-15(2,3)19-14(18)16(17)12-8-4-5-9-13(16)11-7-6-10-12/h4-11H,1-3H3
InChIKey UHDHFCBAGPNNHC-UHFFFAOYSA-N
Mol Weight 321.21 g/mol
Molecular Formula C16H17BrO2
Exact Mass 320.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8ti7MlHvua
Name Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carboxylic acid, 11-bromo-, 1,1-dimethylethyl ester
Alternate Name(s) t-Butyl 11-bromobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carboxylate tert-Butyl 11-bromobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carboxylate
CAS Registry Number 121610-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO2
InChI InChI=1S/C16H17BrO2/c1-15(2,3)19-14(18)16(17)12-8-4-5-9-13(16)11-7-6-10-12/h4-11H,1-3H3
InChIKey UHDHFCBAGPNNHC-UHFFFAOYSA-N
Molecular Weight 321.214 g/mol
SMILES C(C1(C2=CC=CC=C1C=CC=C2)Br)(OC(C)(C)C)=O
SPLASH splash10-000i-0910000000-982d826f7bc000bdf73f
Source of Spectrum H-71-1934-8
Wiley ID 1319930