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12,16-Bis(bromomethyl)[2.2](1,3)(1,4)cyclophane
SpectraBase Compound ID KVzwys1MWSn
InChI InChI=1S/C18H18Br2/c19-11-16-9-15-5-4-13-2-1-3-14(8-13)6-7-18(16)17(10-15)12-20/h1-3,8-10H,4-7,11-12H2
InChIKey OEAFIYLXXYZMES-UHFFFAOYSA-N
Mol Weight 394.15 g/mol
Molecular Formula C18H18Br2
Exact Mass 391.977527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnLWK8gHw68
Name 12,16-Bis(bromomethyl)[2.2](1,3)(1,4)cyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18Br2
InChI InChI=1S/C18H18Br2/c19-11-16-9-15-5-4-13-2-1-3-14(8-13)6-7-18(16)17(10-15)12-20/h1-3,8-10H,4-7,11-12H2
InChIKey OEAFIYLXXYZMES-UHFFFAOYSA-N
Molecular Weight 394.150 g/mol
SMILES c12c(cc(cc2CBr)CCc2cc(CC1)ccc2)CBr
SPLASH splash10-01qc-0279000000-078efba6df48ea3ff102
Source of Spectrum KC-0-707-23
Synonyms 12,15-bis(bromomethyl)tricyclo[9.2.2.1(4,8)]hexadeca-1(13),4(16),5,7,11,14-hexaene
Wiley ID 821148