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(5-Oxotetrahydro-2-furanyl)methyl 3,5-dinitrobenzoate
SpectraBase Compound ID LP2Mv9WFzlb
InChI InChI=1S/C12H10N2O8/c15-11-2-1-10(22-11)6-21-12(16)7-3-8(13(17)18)5-9(4-7)14(19)20/h3-5,10H,1-2,6H2
InChIKey KKUQEPIBFSPVDC-UHFFFAOYSA-N
Mol Weight 310.22 g/mol
Molecular Formula C12H10N2O8
Exact Mass 310.043715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ljrhmx8MApI
Name (5-Oxotetrahydro-2-furanyl)methyl 3,5-dinitrobenzoate
Alternate Name(s) (5-oxidanylideneoxolan-2-yl)methyl 3,5-dinitrobenzoate (5-oxooxolan-2-yl)methyl 3,5-dinitrobenzoate (5-oxotetrahydrofuran-2-yl)methyl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (5-ketotetrahydrofuran-2-yl)methyl ester 3,5-Dinitrobenzoic acid (5-oxo-2-oxolanyl)methyl ester 3,5-Dinitrobenzoic acid, tetrahydrofuran-2-on-5-ylmethyl ester
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Formula C12H10N2O8
InChI InChI=1S/C12H10N2O8/c15-11-2-1-10(22-11)6-21-12(16)7-3-8(13(17)18)5-9(4-7)14(19)20/h3-5,10H,1-2,6H2
InChIKey KKUQEPIBFSPVDC-UHFFFAOYSA-N
Molecular Weight 310.218 g/mol
SMILES C1(OC(=O)CC1)COC(=O)c1cc(N(=O)=O)cc(c1)N(=O)=O
SPLASH splash10-000i-9000000000-4ccab7f68ab832592500
Wiley ID 1478818