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(4R,5R)-2-(3-Nitrophenyl)-2-(3-nitropropyl)[1,3]dioxolane-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID XqXsm3wdUJ
InChI InChI=1S/C16H18N2O10/c1-25-14(19)12-13(15(20)26-2)28-16(27-12,7-4-8-17(21)22)10-5-3-6-11(9-10)18(23)24/h3,5-6,9,12-13H,4,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKey XVYZKIMAUZAYNH-CHWSQXEVSA-N
Mol Weight 398.32 g/mol
Molecular Formula C16H18N2O10
Exact Mass 398.096145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L45Nnjv8Mrz
Name (4R,5R)-2-(3-Nitrophenyl)-2-(3-nitropropyl)[1,3]dioxolane-4,5-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H18N2O10
InChI InChI=1S/C16H18N2O10/c1-25-14(19)12-13(15(20)26-2)28-16(27-12,7-4-8-17(21)22)10-5-3-6-11(9-10)18(23)24/h3,5-6,9,12-13H,4,7-8H2,1-2H3/t12-,13-/m1/s1
InChIKey XVYZKIMAUZAYNH-CHWSQXEVSA-N
Molecular Weight 398.324 g/mol
SMILES [C@]1([C@@](OC(O1)(c1cc(N(=O)=O)ccc1)CCCN(=O)=O)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-03di-0009000000-b54d11910fa22a8a7fcb
Source of Spectrum F-62-1580-3
Synonyms dimethyl (4R,5R)-2-(3-nitrophenyl)-2-(3-nitropropyl)-1,3-dioxolane-4,5-dicarboxylate
Wiley ID 1632202