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7-(tert-butylthio)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID CaiU2BglMPS
InChI InChI=1S/C15H18S/c1-15(2,3)16-14-10-6-8-12-7-4-5-9-13(14)11-12/h4-10H,11H2,1-3H3
InChIKey GBGGNOWZQRXITJ-UHFFFAOYSA-N
Mol Weight 230.37 g/mol
Molecular Formula C15H18S
Exact Mass 230.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdaCw7PPtto
Name 7-(tert-butylthio)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Alternate Name(s) 7-tert-Butylsulfanylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18S
InChI InChI=1S/C15H18S/c1-15(2,3)16-14-10-6-8-12-7-4-5-9-13(14)11-12/h4-10H,11H2,1-3H3
InChIKey GBGGNOWZQRXITJ-UHFFFAOYSA-N
Molecular Weight 230.369 g/mol
SMILES C1(=C2CC(C=CC=C2)=CC=C1)SC(C)(C)C
SPLASH splash10-0006-2900000000-8804c507f0d4b22e0799
Source of Spectrum H-80-135-3
Wiley ID 1232254