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1-[3',3'-bis(Methoxycarbonyl)-1'-nitropropyl]-4-chlorobenzene
SpectraBase Compound ID 9FRKaEm18FZ
InChI InChI=1S/C13H14ClNO6/c1-20-12(16)10(13(17)21-2)7-11(15(18)19)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3
InChIKey ZKWXQOOBZSKUNQ-UHFFFAOYSA-N
Mol Weight 315.71 g/mol
Molecular Formula C13H14ClNO6
Exact Mass 315.050965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NUFrxjcdt0
Name 1-[3',3'-bis(Methoxycarbonyl)-1'-nitropropyl]-4-chlorobenzene
Alternate Name(s) Dimethyl 2-[2-(4-chlorophenyl)-2-nitroethyl]malonate
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Formula C13H14ClNO6
InChI InChI=1S/C13H14ClNO6/c1-20-12(16)10(13(17)21-2)7-11(15(18)19)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3
InChIKey ZKWXQOOBZSKUNQ-UHFFFAOYSA-N
Molecular Weight 315.709 g/mol
SMILES C(N(=O)=O)(CC(C(=O)OC)C(=O)OC)c1ccc(cc1)Cl
SPLASH splash10-0pba-0940000000-1a7c83798f76ec11436b
Source of Spectrum SK-27-3056-5
Wiley ID 868062