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2-[1-(4-nitrophenyl)pentyl]malonic acid diethyl ester
SpectraBase Compound ID LQzGLGZocTa
InChI InChI=1S/C18H25NO6/c1-4-7-8-15(13-9-11-14(12-10-13)19(22)23)16(17(20)24-5-2)18(21)25-6-3/h9-12,15-16H,4-8H2,1-3H3
InChIKey LCCQXJXVKMESSU-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaBPk6iqITT
Name 2-[1-(4-nitrophenyl)pentyl]malonic acid diethyl ester
Alternate Name(s) 2-[1-(4-nitrophenyl)pentyl]propanedioic acid diethyl ester Diethyl 2-[1-(4-nitrophenyl)pentyl]propanedioate
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Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-4-7-8-15(13-9-11-14(12-10-13)19(22)23)16(17(20)24-5-2)18(21)25-6-3/h9-12,15-16H,4-8H2,1-3H3
InChIKey LCCQXJXVKMESSU-UHFFFAOYSA-N
Molecular Weight 351.399 g/mol
SMILES c1(N(=O)=O)ccc(C(C(C(=O)OCC)C(=O)OCC)CCCC)cc1
SPLASH splash10-03fr-0691000000-e707e55260db29bca90f
Source of Spectrum SK-29-874-4
Wiley ID 880481