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27-Bromo-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene
SpectraBase Compound ID 8JNRfWU2E20
InChI InChI=1S/C20H31BrO7/c21-20-18-2-1-3-19(20)17-28-15-13-26-11-9-24-7-5-22-4-6-23-8-10-25-12-14-27-16-18/h1-3H,4-17H2
InChIKey XDWHDHNSJKZKNY-UHFFFAOYSA-N
Mol Weight 463.37 g/mol
Molecular Formula C20H31BrO7
Exact Mass 462.125316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EEa1xjIQuF
Name 27-Bromo-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene
CAS Registry Number 111982-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31BrO7
InChI InChI=1S/C20H31BrO7/c21-20-18-2-1-3-19(20)17-28-15-13-26-11-9-24-7-5-22-4-6-23-8-10-25-12-14-27-16-18/h1-3H,4-17H2
InChIKey XDWHDHNSJKZKNY-UHFFFAOYSA-N
Molecular Weight 463.365 g/mol
SMILES C1OCc2c(c(ccc2)COCCOCCOCCOCCOCCOC1)Br
SPLASH splash10-000b-9400000000-57cbdfd05a45b485d844
Synonyms 27-bromanyl-3,6,9,12,15,18,21-heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene 3,6,9,12,15,18,21-Heptaoxabicyclo[21.3.1]heptacosa-1(27),23,25-triene, 27-bromo-
Wiley ID 1493407