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Methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate
SpectraBase Compound ID DBPVhSl8wxK
InChI InChI=1S/C18H18N2O6/c1-12(11-13-3-7-15(8-4-13)19(22)23)17(18(21)26-2)14-5-9-16(10-6-14)20(24)25/h3-10,12,17H,11H2,1-2H3
InChIKey IVCYCVGLYHEDTG-UHFFFAOYSA-N
Mol Weight 358.35 g/mol
Molecular Formula C18H18N2O6
Exact Mass 358.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WxfimcJxd1
Name Methyl 3-methyl-2,4-bis(4-nitrophenyl)butanoate
Alternate Name(s) 3-Methyl-2,4-bis(4-nitrophenyl)butanoic acid methyl ester
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Formula C18H18N2O6
InChI InChI=1S/C18H18N2O6/c1-12(11-13-3-7-15(8-4-13)19(22)23)17(18(21)26-2)14-5-9-16(10-6-14)20(24)25/h3-10,12,17H,11H2,1-2H3
InChIKey IVCYCVGLYHEDTG-UHFFFAOYSA-N
Molecular Weight 358.350 g/mol
SMILES c1(N(=O)=O)ccc(C(C(Cc2ccc(N(=O)=O)cc2)C)C(=O)OC)cc1
SPLASH splash10-0002-0900000000-e0e85cd5c613a1202840
Source of Spectrum SK-26-2005-3
Wiley ID 867214