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(2-Oxoheptyl)phosphonic acid dimethyl ester
SpectraBase Compound ID 7cAqibY5U6K
InChI InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3
InChIKey LQZCYXCHWNQBKX-UHFFFAOYSA-N
Mol Weight 222.22 g/mol
Molecular Formula C9H19O4P
Exact Mass 222.102096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GHdTVP754e
Name Dimethyl (2-oxoheptyl)-phosphonate
Alternate Name(s) Dimethyl (2-oxoheptyl)phosphonate Phosphonic acid, (2-oxoheptyl)-, dimethyl ester 1-Dimethoxyphosphoryl-2-heptanone
CAS Registry Number 36969-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H19O4P
InChI InChI=1S/C9H19O4P/c1-4-5-6-7-9(10)8-14(11,12-2)13-3/h4-8H2,1-3H3
InChIKey LQZCYXCHWNQBKX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302608q
Molecular Weight 222.221 g/mol
SMILES COP(CC(CCCCC)=O)(=O)OC
SPLASH splash10-0a4i-0900000000-34f3fca105ba8b5a09de
Source of Spectrum A1-14-5728/SMS8-17E
Wiley ID 1750679