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3-BROMO-EXO-4-PHENYL-ENDO-6-(PHENYLTHIO)-BICYCLO-[3.1.1]-HEPT-2-ENE
SpectraBase Compound ID 81vdbBfUHQS
InChI InChI=1S/C19H17BrS/c20-17-12-14-11-16(18(17)13-7-3-1-4-8-13)19(14)21-15-9-5-2-6-10-15/h1-10,12,14,16,18-19H,11H2/t14-,16+,18?,19+/m0/s1
InChIKey KJNYTGIPZXIJJJ-YNDBTKPRSA-N
Mol Weight 357.31 g/mol
Molecular Formula C19H17BrS
Exact Mass 356.023435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5c6iEzI6Sg4
Name 3-BROMO-EXO-4-PHENYL-ENDO-6-(PHENYLTHIO)-BICYCLO-[3.1.1]-HEPT-2-ENE
CAS Registry Number 102870-52-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17BrS
InChI InChI=1S/C19H17BrS/c20-17-12-14-11-16(18(17)13-7-3-1-4-8-13)19(14)21-15-9-5-2-6-10-15/h1-10,12,14,16,18-19H,11H2/t14-,16+,18?,19+/m0/s1
InChIKey KJNYTGIPZXIJJJ-YNDBTKPRSA-N
Literature Reference Author C.HERZOG,R.LANG,D.BRUECKNER,P.KEMMER,M.CHRISTL
Literature Reference Citation CHEM.BER.,119,3027(1986)
Literature Reference DOI 10.1002/cber.19861191011
Molecular Weight 357.308 g/mol
Solvent CDCl3
Source File Reference UWGB1567