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2,5-Methano-1-benzoxepin, 7-bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-, [2S-(2.alpha.,5.beta.,10S*)]-
SpectraBase Compound ID IfLWWmfgDq2
InChI InChI=1S/C15H18BrIO/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10H,4-5,8H2,1-3H3/t10-,14-,15-/m1/s1
InChIKey GSLUQYUFBYSYQN-VCTAVGKDSA-N
Mol Weight 421.12 g/mol
Molecular Formula C15H18BrIO
Exact Mass 419.958573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UkQmQfwY4
Name 2,5-Methano-1-benzoxepin, 7-bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-, [2S-(2.alpha.,5.beta.,10S*)]-
CAS Registry Number 72030-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrIO
InChI InChI=1S/C15H18BrIO/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10H,4-5,8H2,1-3H3/t10-,14-,15-/m1/s1
InChIKey GSLUQYUFBYSYQN-VCTAVGKDSA-N
Molecular Weight 421.116 g/mol
SMILES [C@@]12(c3c(cc(c(c3)Br)C)O[C@@]([C@@]1(C)[H])(CI)CC2)C
SPLASH splash10-00dj-1980600000-9a2c4e096a95f22a3dc9
Source of Spectrum C-101-6137-0
Synonyms (1R,9S,12R)-4-bromo-9-(iodomethyl)-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0(2,7)]dodeca-2,4,6-triene 6-Bromo-3,4,7-trimethyl-2-iodomethyl-2,4-ethano-3,4-dihydro-1,2-benzopyran
Wiley ID 1377744