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DIMETHYL-ORTHO-NITROBENZYLPHOSPHONATE
SpectraBase Compound ID KwpjqHXktiC
InChI InChI=1S/C9H12NO5P/c1-14-16(13,15-2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3
InChIKey IESZKJKLJHQTRC-UHFFFAOYSA-N
Mol Weight 245.17 g/mol
Molecular Formula C9H12NO5P
Exact Mass 245.045309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNoipcb63oy
Name Phosphonic acid, [(2-nitrophenyl)methyl]-, dimethyl ester
Alternate Name(s) 1-(dimethoxyphosphorylmethyl)-2-nitro-benzene Dimethyl 2-nitrobenzylphosphonate
CAS Registry Number 54006-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12NO5P
InChI InChI=1S/C9H12NO5P/c1-14-16(13,15-2)7-8-5-3-4-6-9(8)10(11)12/h3-6H,7H2,1-2H3
InChIKey IESZKJKLJHQTRC-UHFFFAOYSA-N
Molecular Weight 245.171 g/mol
SMILES c1(N(=O)=O)c(CP(=O)(OC)OC)cccc1
SPLASH splash10-0005-7900000000-d2b3f4a1e3f03ed67b04
Source of Spectrum B-36-2103-0
Wiley ID 1247752