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18,36-Dibromo-1,12,19,30-Tetraoxa[12.12]metacyclophane
SpectraBase Compound ID BsLhhA5y93n
InChI InChI=1S/C32H46Br2O4/c33-31-27-19-17-21-29(31)37-25-15-11-7-3-4-8-12-16-26-38-30-22-18-20-28(32(30)34)36-24-14-10-6-2-1-5-9-13-23-35-27/h17-22H,1-16,23-26H2
InChIKey MILCHTYJYHYUMD-UHFFFAOYSA-N
Mol Weight 654.5 g/mol
Molecular Formula C32H46Br2O4
Exact Mass 652.176286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nQGN8w6DTS
Name 18,36-Dibromo-1,12,19,30-Tetraoxa[12.12]metacyclophane
Alternate Name(s) 35,36-dibromo-2,13,19,30-tetraoxatricyclo[29.3.1.1(14,18)]hexatriaconta-1(35),14(36),15,17,31,33-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C32H46Br2O4
InChI InChI=1S/C32H46Br2O4/c33-31-27-19-17-21-29(31)37-25-15-11-7-3-4-8-12-16-26-38-30-22-18-20-28(32(30)34)36-24-14-10-6-2-1-5-9-13-23-35-27/h17-22H,1-16,23-26H2
InChIKey MILCHTYJYHYUMD-UHFFFAOYSA-N
Molecular Weight 654.524 g/mol
SMILES c1(c2OCCCCCCCCCCOc3cccc(c3Br)OCCCCCCCCCCOc1ccc2)Br
SPLASH splash10-0zgi-4000009000-b547f30ecb7df447146e
Source of Spectrum KC-0-536-2
Wiley ID 824330