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20,40-Dibromo-1,14,21,34-Tetraoxa[14.14]metacyclophane
SpectraBase Compound ID 2LX81f76JWf
InChI InChI=1S/C36H54Br2O4/c37-35-31-23-21-25-33(35)41-29-19-15-11-7-3-4-8-12-16-20-30-42-34-26-22-24-32(36(34)38)40-28-18-14-10-6-2-1-5-9-13-17-27-39-31/h21-26H,1-20,27-30H2
InChIKey UVWKSOBGWFBZTH-UHFFFAOYSA-N
Mol Weight 710.6 g/mol
Molecular Formula C36H54Br2O4
Exact Mass 708.238886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qz9xTmbFHq
Name 20,40-Dibromo-1,14,21,34-Tetraoxa[14.14]metacyclophane
Alternate Name(s) 39,40-dibromo-2,15,21,34-tetraoxatricyclo[33.3.1.1(16,20)]tetraconta-1(39),16(40),17,19,35,37-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C36H54Br2O4
InChI InChI=1S/C36H54Br2O4/c37-35-31-23-21-25-33(35)41-29-19-15-11-7-3-4-8-12-16-20-30-42-34-26-22-24-32(36(34)38)40-28-18-14-10-6-2-1-5-9-13-17-27-39-31/h21-26H,1-20,27-30H2
InChIKey UVWKSOBGWFBZTH-UHFFFAOYSA-N
Molecular Weight 710.632 g/mol
SMILES c1(c2OCCCCCCCCCCCCOc3cccc(c3Br)OCCCCCCCCCCCCOc1ccc2)Br
SPLASH splash10-03e9-4000000900-fd51cfaa623c103e1c7f
Source of Spectrum KC-0-536-2
Wiley ID 824329