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3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
SpectraBase Compound ID CgbyC2LKyQj
InChI InChI=1S/C13H19N3O8/c17-5-6-24-10-1-3-12(15(20)21)7-13(10,16(22)23)9-14(8-12)4-2-11(18)19/h1,17H,2-9H2,(H,18,19)
InChIKey JTAPXUXKTORBBV-UHFFFAOYSA-N
Mol Weight 345.31 g/mol
Molecular Formula C13H19N3O8
Exact Mass 345.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TGs7dS8gxv
Name 3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid
Alternate Name(s) 3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate 3-[6-(2-hydroxyethoxy)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propionate 3-[6-(2-hydroxyethyloxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoic acid 3-[6-(2-hydroxyethyloxy)-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-en-3-yl]propanoate
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Formula C13H19N3O8
InChI InChI=1S/C13H19N3O8/c17-5-6-24-10-1-3-12(15(20)21)7-13(10,16(22)23)9-14(8-12)4-2-11(18)19/h1,17H,2-9H2,(H,18,19)
InChIKey JTAPXUXKTORBBV-UHFFFAOYSA-N
Molecular Weight 345.308 g/mol
SMILES OC(CCN1CC2(CC(C(OCCO)=CC2)(N(=O)=O)C1)N(=O)=O)=O
SPLASH splash10-0udm-9810000000-4a253dbf6edb83ef4582
Wiley ID 1511585