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5-Bromo[3.2]paracyclophane
SpectraBase Compound ID KUHMQzUBjTL
InChI InChI=1S/C17H17Br/c18-17-12-15-9-8-14-6-4-13(5-7-14)2-1-3-16(17)11-10-15/h4-7,10-12H,1-3,8-9H2
InChIKey GSBARWRMWHCHTG-UHFFFAOYSA-N
Mol Weight 301.23 g/mol
Molecular Formula C17H17Br
Exact Mass 300.051364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERHUaIOWsCM
Name 5-Bromo[3.2]paracyclophane
Alternate Name(s) 6-Bromo-tricyclo[9.2.2.2*4,7*]heptadeca-1(14),4(17),5,7(16),11(15),12-hexaene
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Formula C17H17Br
InChI InChI=1S/C17H17Br/c18-17-12-15-9-8-14-6-4-13(5-7-14)2-1-3-16(17)11-10-15/h4-7,10-12H,1-3,8-9H2
InChIKey GSBARWRMWHCHTG-UHFFFAOYSA-N
Molecular Weight 301.227 g/mol
SMILES c1(c2ccc(c1)CCc1ccc(CCC2)cc1)Br
SPLASH splash10-0uxr-0829000000-d34cd05b9ae6953b0941
Source of Spectrum U1-2009-234-25a
Wiley ID 1662388