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Phosphonic acid, [2-bromo-1-(1,1-dimethylethyl)-4,4-dimethyl-3-oxo-1-pentenyl]-, dimethyl ester, (E)-
SpectraBase Compound ID IamW9i0nabc
InChI InChI=1S/C13H24BrO4P/c1-12(2,3)10(15)9(14)11(13(4,5)6)19(16,17-7)18-8/h1-8H3/b11-9+
InChIKey ZBVGNVZFGYJIAF-PKNBQFBNSA-N
Mol Weight 355.21 g/mol
Molecular Formula C13H24BrO4P
Exact Mass 354.059559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4McRJjog8h
Name Phosphonic acid, [2-bromo-1-(1,1-dimethylethyl)-4,4-dimethyl-3-oxo-1-pentenyl]-, dimethyl ester, (E)-
Alternate Name(s) 3,5-Di-tert-butyl-4-bromo-1,2-oxaphosphol-3-ene 2-oxide Dimethyl (1E)-2-bromo-1-tert-butyl-4,4-dimethyl-3-oxo-1-pentenylphosphonate
CAS Registry Number 125249-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24BrO4P
InChI InChI=1S/C13H24BrO4P/c1-12(2,3)10(15)9(14)11(13(4,5)6)19(16,17-7)18-8/h1-8H3/b11-9+
InChIKey ZBVGNVZFGYJIAF-PKNBQFBNSA-N
Molecular Weight 355.209 g/mol
SMILES C(\C(=C\(P(=O)(OC)OC)C(C)(C)C)Br)(C(C)(C)C)=O
SPLASH splash10-0002-0290000000-365a3dd1d61fc1529d5e
Source of Spectrum J-55-1496-22
Wiley ID 1344248