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(4R,5R)-4,5-Bis(5-chloro-6-nitrobenzoxazol-2-yl)-2,2-dimethyl-1,3-dioxolane
SpectraBase Compound ID HHBioUakBF3
InChI InChI=1S/C19H12Cl2N4O8/c1-19(2)32-15(17-22-9-3-7(20)11(24(26)27)5-13(9)30-17)16(33-19)18-23-10-4-8(21)12(25(28)29)6-14(10)31-18/h3-6,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey SBFQVQOCOBPYPW-HOTGVXAUSA-N
Mol Weight 495.23 g/mol
Molecular Formula C19H12Cl2N4O8
Exact Mass 494.003219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2IjwmlURhg
Name (4R,5R)-4,5-Bis(5-chloro-6-nitrobenzoxazol-2-yl)-2,2-dimethyl-1,3-dioxolane
Alternate Name(s) (4S,5S)-4,5-Bis(5-chloro-6-nitrobenz[d]oxazol-2-yl)-2,2-dimethyl-1,3-dioxolane 5-Chloro-2-[(4S,5S)-5-(5-chloro-6-nitro-1,3-benzoxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-nitro-1,3-benzoxazole
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Formula C19H12Cl2N4O8
InChI InChI=1S/C19H12Cl2N4O8/c1-19(2)32-15(17-22-9-3-7(20)11(24(26)27)5-13(9)30-17)16(33-19)18-23-10-4-8(21)12(25(28)29)6-14(10)31-18/h3-6,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey SBFQVQOCOBPYPW-HOTGVXAUSA-N
Molecular Weight 495.231 g/mol
SMILES C1(O[C@@]([C@](O1)(c1oc2c(n1)cc(c(c2)N(=O)=O)Cl)[H])(c1oc2c(n1)cc(c(c2)N(=O)=O)Cl)[H])(C)C
SPLASH splash10-014r-0090100000-c06f6d898ae964cd6648
Source of Spectrum QC-12-3086-2
Wiley ID 1634814