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(Cyclohepta-1,3,5-trien-1-ylmethyl)diethylphosphonate
SpectraBase Compound ID GHiWGVSYJER
InChI InChI=1S/C12H19O3P/c1-3-14-16(13,15-4-2)11-12-9-7-5-6-8-10-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey DNQHUMMTQSCUOH-UHFFFAOYSA-N
Mol Weight 242.25 g/mol
Molecular Formula C12H19O3P
Exact Mass 242.107181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KyEWjCKPoXL
Name (Cyclohepta-1,3,5-trien-1-ylmethyl)diethylphosphonate
Alternate Name(s) Diethyl (cyclohepta-1,3,5-trien-1-ylmethyl)phosphonate
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Formula C12H19O3P
InChI InChI=1S/C12H19O3P/c1-3-14-16(13,15-4-2)11-12-9-7-5-6-8-10-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey DNQHUMMTQSCUOH-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1099-0682(200004)2000_4_631
Molecular Weight 242.255 g/mol
SMILES C(P(=O)(OCC)OCC)C=1CC=CC=CC1
SPLASH splash10-0udi-1920000000-6a7322459b4b59f15d0b
Source of Spectrum U2-2000-641-6
Wiley ID 1790847