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(4-Bromophenyl)cyclododecane
SpectraBase Compound ID 8wQKu2CkqND
InChI InChI=1S/C18H27Br/c19-18-14-12-17(13-15-18)16-10-8-6-4-2-1-3-5-7-9-11-16/h12-16H,1-11H2
InChIKey QVMCIYOJSPEXNV-UHFFFAOYSA-N
Mol Weight 323.32 g/mol
Molecular Formula C18H27Br
Exact Mass 322.129614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hVu5erB0S
Name (4-Bromophenyl)cyclododecane
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.129613869 u
Formula C18H27Br
InChI InChI=1S/C18H27Br/c19-18-14-12-17(13-15-18)16-10-8-6-4-2-1-3-5-7-9-11-16/h12-16H,1-11H2
InChIKey QVMCIYOJSPEXNV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201605463
Molecular Weight 323.318 g/mol
Quality 102
SMILES C1CCCCC(CCCCCC1)C1=CC=C(C=C1)Br
SPLASH splash10-0089-1911000000-006293d15aee52488f2c
Source of Spectrum ACI-55-SM56-10 (DOI: 10.1002/anie.201605463)
Thin-Layer Chromatography 0.9 (hexanes)
Wiley ID 1901031