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3-chlor-endo-6,syn-7-diiodbicyclo[3.1.1]hept-3-en-2-yl-4-nitrobenzoat
SpectraBase Compound ID BQYMzeEn8sF
InChI InChI=1S/C14H10ClI2NO4/c15-9-5-8-11(16)10(12(8)17)13(9)22-14(19)6-1-3-7(4-2-6)18(20)21/h1-5,8,10-13H/t8-,10+,11?,12?,13?
InChIKey ABEKHNVJEOMIJF-ZSMWZICSSA-N
Mol Weight 545.5 g/mol
Molecular Formula C14H10ClI2NO4
Exact Mass 544.838776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxorH2wydwn
Name 3-chlor-endo-6,syn-7-diiodbicyclo[3.1.1]hept-3-en-2-yl-4-nitrobenzoat
CAS Registry Number 102870-44-0
Comments Less than 3 mono-isotopic peaks
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Formula C14H10ClI2NO4
InChI InChI=1S/C14H10ClI2NO4/c15-9-5-8-11(16)10(12(8)17)13(9)22-14(19)6-1-3-7(4-2-6)18(20)21/h1-5,8,10-13H/t8-,10+,11?,12?,13?
InChIKey ABEKHNVJEOMIJF-ZSMWZICSSA-N
Molecular Weight 545.499 g/mol
SMILES [C@]12(C(C(Cl)=C[C@](C2I)(C1I)[H])OC(c1ccc(N(=O)=O)cc1)=O)[H]
SPLASH splash10-0udi-0900000000-e84dc18a6cdb2ed979b6
Source of Spectrum K-119-3039-3
Synonyms 3-chloro-6,7-diiodobicyclo[3.1.1]hept-3-en-2-yl 4-nitrobenzoate
Wiley ID 1405138