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trans - diethyl 1-bromo-2-p-tolylcyclopropylphosphonate
SpectraBase Compound ID IZlimK5xWk9
InChI InChI=1S/C14H20BrO3P/c1-4-17-19(16,18-5-2)14(15)10-13(14)12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3/t13-,14+/m1/s1
InChIKey MQTVUBTUEBZZDW-KGLIPLIRSA-N
Mol Weight 347.19 g/mol
Molecular Formula C14H20BrO3P
Exact Mass 346.033344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID j5WjAQ8wjr
Name trans - diethyl 1-bromo-2-p-tolylcyclopropylphosphonate
Alternate Name(s) Diethyl ((1R,2R)-1-bromo-2-(p-tolyl)cyclopropyl)phosphonate
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Formula C14H20BrO3P
InChI InChI=1S/C14H20BrO3P/c1-4-17-19(16,18-5-2)14(15)10-13(14)12-8-6-11(3)7-9-12/h6-9,13H,4-5,10H2,1-3H3/t13-,14+/m1/s1
InChIKey MQTVUBTUEBZZDW-KGLIPLIRSA-N
Literature Reference DOI 10.1021/ol3010276
Molecular Weight 347.189 g/mol
SMILES [C@]1(Br)(P(OCC)(OCC)=O)[C@](C1)(c1ccc(cc1)C)[H]
SPLASH splash10-01ta-0984000000-1a2e1400508b04658b40
Source of Spectrum A1-14-2794/SMS5-4B
Wiley ID 1750278