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{Bicyclo[3.1.1] hept-1-yl} phenyl thioether
SpectraBase Compound ID Ju2qNuLYmQQ
InChI InChI=1S/C13H16S/c1-2-6-12(7-3-1)14-13-8-4-5-11(9-13)10-13/h1-3,6-7,11H,4-5,8-10H2
InChIKey KOEJOHXYOAQOEI-UHFFFAOYSA-N
Mol Weight 204.33 g/mol
Molecular Formula C13H16S
Exact Mass 204.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRPkUpzG58d
Name {Bicyclo[3.1.1] hept-1-yl} phenyl thioether
CAS Registry Number 142133-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S
InChI InChI=1S/C13H16S/c1-2-6-12(7-3-1)14-13-8-4-5-11(9-13)10-13/h1-3,6-7,11H,4-5,8-10H2
InChIKey KOEJOHXYOAQOEI-UHFFFAOYSA-N
Molecular Weight 204.331 g/mol
SMILES C12(Sc3ccccc3)CC(C1)CCC2
SPLASH splash10-0gxw-9710000000-c5a9dbc64c499fef3a5e
Source of Spectrum K-125-2522-28
Synonyms 1-(Phenylsulfanyl)bicyclo[3.1.1]heptane bicyclo[3.1.1]hept-1-yl phenyl sulfide {bicyclo[3.1.1]hept-1-yl} phenyl thioeter
Wiley ID 1202192