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1-Iodo-[2.2]paracyclophane-1,9-diene
SpectraBase Compound ID GZbRvNecxhd
InChI InChI=1S/C16H11I/c17-16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(16)10-8-13/h1-11H/b2-1-,12-1-,13-2-,14-11-,16-11+,16-15+
InChIKey GTEJKEMRHGYQFS-RNAKSCISSA-N
Mol Weight 330.17 g/mol
Molecular Formula C16H11I
Exact Mass 329.990545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck3zctfwyTU
Name 1-Iodo-[2.2]paracyclophane-1,9-diene
Alternate Name(s) 2-iodotricyclo[8.2.2.2(4,7)]hexadeca-1(12),2,4,6,8,10,13,15-octaene
Comments Less than 3 mono-isotopic peaks
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Formula C16H11I
InChI InChI=1S/C16H11I/c17-16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(16)10-8-13/h1-11H/b2-1-,12-1-,13-2-,14-11-,16-11+,16-15+
InChIKey GTEJKEMRHGYQFS-RNAKSCISSA-N
Molecular Weight 330.168 g/mol
SMILES c12\C=C/(c3ccc(\C=C/c(cc2)cc1)cc3)I
SPLASH splash10-0udi-0093000000-fe989b1d509ed8be79d5
Source of Spectrum U1-1998-1767-3
Wiley ID 751572