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3-PHENYLTHIO-TRICYCLO-[3.1.0.0(2,6)]-HEXANE
SpectraBase Compound ID L591wegYYdq
InChI InChI=1S/C12H12S/c1-2-4-7(5-3-1)13-9-6-8-10-11(8)12(9)10/h1-5,8-12H,6H2/t8-,9-,10+,11-,12+/m0/s1
InChIKey PSSNLPYLJFYBOA-HHHUOAJASA-N
Mol Weight 188.29 g/mol
Molecular Formula C12H12S
Exact Mass 188.065972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUzk3GFqcYq
Name 3-PHENYLTHIO-TRICYCLO-[3.1.0.0(2,6)]-HEXANE
CAS Registry Number 73688-28-5
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12S
InChI InChI=1S/C12H12S/c1-2-4-7(5-3-1)13-9-6-8-10-11(8)12(9)10/h1-5,8-12H,6H2/t8-,9-,10+,11-,12+/m0/s1
InChIKey PSSNLPYLJFYBOA-HHHUOAJASA-N
Literature Reference Author M.CHRISTL,R.LANG,R.HERBERT,G.FREITAG
Literature Reference Citation ANGEW.CHEM.,92,465(1980)
Literature Reference DOI 10.1002/ange.19800920609
Molecular Weight 188.287 g/mol
Solvent CDCl3
Source File Reference UWCS11609