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5-Chloro-2-[(4R,5R)-5-(5-chloro-6-nitro-1,3-benzoxazol-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-nitro-1,3-benzoxazole
SpectraBase Compound ID 1eeattuQnuM
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-/m1/s1
InChIKey SBFQVQOCOBPYPW-HZPDHXFCSA-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 215mmsrDxoS
Name 5-Chloro-2-[(4R,5R)-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-/m1/s1
InChIKey SBFQVQOCOBPYPW-HZPDHXFCSA-N
Molecular Weight 495.231 g/mol
SMILES [C@]1(c2oc3cc(c(cc3n2)Cl)[N+]([O-])=O)(OC(C)(C)O[C@]1(c1oc2c(cc(c(c2)[N+](=O)[O-])Cl)n1)[H])[H]
SPLASH splash10-014i-0190100000-05a8c3b3542b10378e1d
Source of Spectrum RCM-16-1175-5
Synonyms 2,2'-((4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(5-chloro-6-nitrobenzo[d]oxazole)
Wiley ID 1819725