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4,5,4'-Tribromodibenzo-18-crown-6
SpectraBase Compound ID 8ZGs3Ig2Ebp
InChI InChI=1S/C20H21Br3O6/c21-14-1-2-17-18(11-14)27-8-4-25-6-10-29-20-13-16(23)15(22)12-19(20)28-9-5-24-3-7-26-17/h1-2,11-13H,3-10H2
InChIKey DYNZERRZPSTDPM-UHFFFAOYSA-N
Mol Weight 597.09 g/mol
Molecular Formula C20H21Br3O6
Exact Mass 593.888827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ypzLVHDdYl
Name 4,5,4'-Tribromodibenzo-18-crown-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21Br3O6
InChI InChI=1S/C20H21Br3O6/c21-14-1-2-17-18(11-14)27-8-4-25-6-10-29-20-13-16(23)15(22)12-19(20)28-9-5-24-3-7-26-17/h1-2,11-13H,3-10H2
InChIKey DYNZERRZPSTDPM-UHFFFAOYSA-N
Molecular Weight 597.094 g/mol
SMILES c1c2c(OCCOCCOc3c(OCCOCCO2)ccc(c3)Br)cc(c1Br)Br
SPLASH splash10-0005-7290030000-fda2bdab359be4a482d0
Source of Spectrum NP-16-808-0
Wiley ID 1113147