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Dimethyl (1-Phenyl-4-bromobutyl)phosphonate
SpectraBase Compound ID 8TviUbNRDsp
InChI InChI=1S/C12H18BrO3P/c1-15-17(14,16-2)12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKey GYXGRTGIIFOMOG-UHFFFAOYSA-N
Mol Weight 321.15 g/mol
Molecular Formula C12H18BrO3P
Exact Mass 320.017694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FovsEDEY2Of
Name Dimethyl (1-Phenyl-4-bromobutyl)phosphonate
Alternate Name(s) dimethyl 4-bromo-1-phenylbutylphosphonate
CAS Registry Number 137333-80-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H18BrO3P
InChI InChI=1S/C12H18BrO3P/c1-15-17(14,16-2)12(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKey GYXGRTGIIFOMOG-UHFFFAOYSA-N
Molecular Weight 321.151 g/mol
SMILES C(P(=O)(OC)OC)(c1ccccc1)CCCBr
SPLASH splash10-00di-0009000000-9796126c3df935614951
Source of Spectrum J-56-7222-13
Wiley ID 1319690