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2-Nitro-3-(5-nitro-1H-indol-3-yl)propanoic acid ethyl ester
SpectraBase Compound ID 5WsgsOSb2xL
InChI InChI=1S/C13H13N3O6/c1-2-22-13(17)12(16(20)21)5-8-7-14-11-4-3-9(15(18)19)6-10(8)11/h3-4,6-7,12,14H,2,5H2,1H3
InChIKey GMDGUQAKAZCNIH-UHFFFAOYSA-N
Mol Weight 307.26 g/mol
Molecular Formula C13H13N3O6
Exact Mass 307.080435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzjQRxy6SM5
Name 2-Nitro-3-(5-nitro-1H-indol-3-yl)propanoic acid ethyl ester
Alternate Name(s) 2-Nitro-3-(5-nitro-1H-indol-3-yl)propionic acid ethyl ester Ethyl 2-nitro-3-(5-nitro-1H-indol-3-yl)propanoate
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Formula C13H13N3O6
InChI InChI=1S/C13H13N3O6/c1-2-22-13(17)12(16(20)21)5-8-7-14-11-4-3-9(15(18)19)6-10(8)11/h3-4,6-7,12,14H,2,5H2,1H3
InChIKey GMDGUQAKAZCNIH-UHFFFAOYSA-N
Molecular Weight 307.262 g/mol
SMILES [nH]1c2ccc(cc2c(c1)CC(N(=O)=O)C(=O)OCC)N(=O)=O
SPLASH splash10-014i-0981000000-b7ec844f753ff3e0212d
Source of Spectrum AT-35-6258-2
Wiley ID 852896