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Bicyclo[4.4.1]undeca-2,4,6,8,10-pentaene-3-carboxylic acid, 5-bromo-, methyl ester
SpectraBase Compound ID mSbtAwr9cu
InChI InChI=1S/C13H11BrO2/c1-16-13(15)11-7-9-4-2-3-5-10(6-9)12(14)8-11/h2-5,7-8H,6H2,1H3
InChIKey SWZCGIBEIWYIHX-UHFFFAOYSA-N
Mol Weight 279.13 g/mol
Molecular Formula C13H11BrO2
Exact Mass 277.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcCZe6PfGQh
Name Bicyclo[4.4.1]undeca-2,4,6,8,10-pentaene-3-carboxylic acid, 5-bromo-, methyl ester
Alternate Name(s) Methyl 5-bromobicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-3-carboxylate Methyl 5-bromobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-3-carboxylate
CAS Registry Number 126703-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11BrO2
InChI InChI=1S/C13H11BrO2/c1-16-13(15)11-7-9-4-2-3-5-10(6-9)12(14)8-11/h2-5,7-8H,6H2,1H3
InChIKey SWZCGIBEIWYIHX-UHFFFAOYSA-N
Molecular Weight 279.133 g/mol
SMILES C=1(C=C(C2=CC=CC=C(C1)C2)Br)C(=O)OC
SPLASH splash10-000j-0940000000-c342687a572ecb613372
Source of Spectrum H-72-1317-9
Wiley ID 1281622