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4,6-Dibromo-6-methyl[2.1]metacyclophane
SpectraBase Compound ID JUU9XEQENi
InChI InChI=1S/C17H16Br2/c1-11-16(18)14-7-5-12-3-2-4-13(9-12)6-8-15(10-14)17(11)19/h2-4,9-10H,5-8H2,1H3
InChIKey KCOIAVCIIQJKRG-UHFFFAOYSA-N
Mol Weight 380.12 g/mol
Molecular Formula C17H16Br2
Exact Mass 377.961877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uE2GifcLf8
Name 4,6-Dibromo-6-methyl[2.1]metacyclophane
Alternate Name(s) 5,7-Dibromo-6-methyl-tricyclo[9.3.1.1*4,8*]hexadeca-1(15),4,6,8(16),11,13-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C17H16Br2
InChI InChI=1S/C17H16Br2/c1-11-16(18)14-7-5-12-3-2-4-13(9-12)6-8-15(10-14)17(11)19/h2-4,9-10H,5-8H2,1H3
InChIKey KCOIAVCIIQJKRG-UHFFFAOYSA-N
Molecular Weight 380.123 g/mol
SMILES c1(c(c2CCc3cccc(c3)CCc(c1Br)c2)Br)C
SPLASH splash10-001i-0009000000-ad11589b2fbb8baa64bb
Source of Spectrum C-117-1525-19
Wiley ID 1697563