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3-(4-Methoxyphenyl)-2,4-dinitropentane
SpectraBase Compound ID 5eVDZc79Eyl
InChI InChI=1S/C12H16N2O5/c1-8(13(15)16)12(9(2)14(17)18)10-4-6-11(19-3)7-5-10/h4-9,12H,1-3H3
InChIKey FJMUHVWUWGBASA-UHFFFAOYSA-N
Mol Weight 268.27 g/mol
Molecular Formula C12H16N2O5
Exact Mass 268.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ju4TJ05UeAQ
Name 3-(4-Methoxyphenyl)-2,4-dinitropentane
Alternate Name(s) 1-Methoxy-4-[2-nitro-1-(1-nitroethyl)propyl]benzene Methyl 4-[2-nitro-1-(1-nitroethyl)propyl]phenyl ether
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Formula C12H16N2O5
InChI InChI=1S/C12H16N2O5/c1-8(13(15)16)12(9(2)14(17)18)10-4-6-11(19-3)7-5-10/h4-9,12H,1-3H3
InChIKey FJMUHVWUWGBASA-UHFFFAOYSA-N
Molecular Weight 268.269 g/mol
SMILES C(N(=O)=O)(C(C(N(=O)=O)C)c1ccc(cc1)OC)C
SPLASH splash10-0002-0920000000-4c0435f03d666cc5c460
Source of Spectrum SO-0-65-7
Wiley ID 873090