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{1-Bicyclo[4.1.1] octyl} phenyl thioether
SpectraBase Compound ID j6QHUfBomc
InChI InChI=1S/C14H18S/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(10-14)11-14/h1-3,7-8,12H,4-6,9-11H2
InChIKey VDMFPPHADNPGGV-UHFFFAOYSA-N
Mol Weight 218.36 g/mol
Molecular Formula C14H18S
Exact Mass 218.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82iakrWxVBt
Name {1-Bicyclo[4.1.1] octyl} phenyl thioether
CAS Registry Number 142133-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18S
InChI InChI=1S/C14H18S/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(10-14)11-14/h1-3,7-8,12H,4-6,9-11H2
InChIKey VDMFPPHADNPGGV-UHFFFAOYSA-N
Molecular Weight 218.358 g/mol
SMILES C12(Sc3ccccc3)CC(C1)CCCC2
SPLASH splash10-066u-0970000000-82cc5fa3a9a26b3a2985
Source of Spectrum K-125-2522-29
Synonyms 1-(Phenylsulfanyl)bicyclo[4.1.1]octane bicyclo[4.1.1]oct-1-yl phenyl sulfide
Wiley ID 1218085