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(2R,5R)-2-tert-Butyl-5-(2-nitro-4-methoxycarbonylphenyl)-5-phenyl-1,3-dioxolan-4-one
SpectraBase Compound ID AcIDuh0B33O
InChI InChI=1S/C21H21NO7/c1-20(2,3)19-28-18(24)21(29-19,14-8-6-5-7-9-14)15-11-10-13(17(23)27-4)12-16(15)22(25)26/h5-12,19H,1-4H3/t19-,21+/m0/s1
InChIKey JAGZTQVWKAWKTM-PZJWPPBQSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34TywiU7CY3
Name (2R,5R)-2-tert-Butyl-5-(2-nitro-4-methoxycarbonylphenyl)-5-phenyl-1,3-dioxolan-4-one
Alternate Name(s) (2S,5R)-2-tert-Butyl-5-(2-nitro-4-methoxycarbonylphenyl)-5-phenyl-1,3-dioxolan-4-one Methyl 4-[(2R,4R)-2-tert-butyl-5-oxo-4-phenyl-1,3-dioxolan-4-yl]-3-nitrobenzoate
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Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c1-20(2,3)19-28-18(24)21(29-19,14-8-6-5-7-9-14)15-11-10-13(17(23)27-4)12-16(15)22(25)26/h5-12,19H,1-4H3/t19-,21+/m0/s1
InChIKey JAGZTQVWKAWKTM-PZJWPPBQSA-N
Molecular Weight 399.399 g/mol
SMILES [C@@]1(C(O[C@@](O1)(C(C)(C)C)[H])=O)(c1c(N(=O)=O)cc(cc1)C(=O)OC)c1ccccc1
SPLASH splash10-02t9-0096000000-eef5e690061cf759845d
Source of Spectrum F-69-6826-4
Wiley ID 1595708