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Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carboxylic acid, 11-bromo-, anhydride with diethyl hydrogen phosphate
SpectraBase Compound ID DUbFOTTaEhV
InChI InChI=1S/C16H18BrO5P/c1-3-20-23(19,21-4-2)22-15(18)16(17)13-9-5-6-10-14(16)12-8-7-11-13/h5-12H,3-4H2,1-2H3
InChIKey PKOSQXJRAGJFNW-UHFFFAOYSA-N
Mol Weight 401.19 g/mol
Molecular Formula C16H18BrO5P
Exact Mass 400.007524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZ2EgTH0pAE
Name Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carboxylic acid, 11-bromo-, anhydride with diethyl hydrogen phosphate
Alternate Name(s) (11-bromobicyclo[4.4.1]undeca-1,3,5,7,9-pentaen-11-yl)carbonyl diethyl phosphate 11-Bromobicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-11-carbonyl diethyl phesphate
CAS Registry Number 121610-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18BrO5P
InChI InChI=1S/C16H18BrO5P/c1-3-20-23(19,21-4-2)22-15(18)16(17)13-9-5-6-10-14(16)12-8-7-11-13/h5-12H,3-4H2,1-2H3
InChIKey PKOSQXJRAGJFNW-UHFFFAOYSA-N
Molecular Weight 401.193 g/mol
SMILES C(C1(C2=CC=CC=C1C=CC=C2)Br)(OP(=O)(OCC)OCC)=O
SPLASH splash10-000l-0910000000-b2dcab79d4d6283d996e
Source of Spectrum H-71-1936-14
Wiley ID 1369216