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2-exo-Cyano-2-endo-methylsulfinyl-bicyclo-[2.2.1]-5-heptene
SpectraBase Compound ID 4lbX94LrXpW
InChI InChI=1S/C9H11NOS/c1-12(11)9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-5H2,1H3/t7-,8+,9+,12?/m0/s1
InChIKey HLGBXGJXEMLCBP-QPFYHTCHSA-N
Mol Weight 181.25 g/mol
Molecular Formula C9H11NOS
Exact Mass 181.056135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNpYrksJsno
Name 2-EXO-CYANO-2-ENDO-METHYLSULFINYL-BICYCLO-[2.2.1]-5-HEPTENE
Compound Number 12N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NOS
InChI InChI=1S/C9H11NOS/c1-12(11)9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8H,4-5H2,1H3/t7-,8+,9+,12?/m0/s1
InChIKey HLGBXGJXEMLCBP-QPFYHTCHSA-N
Literature Reference Author J.L.BOUCHER,L.STELLA
Literature Reference Citation TETRAHEDRON,42,3871(1986)
Literature Reference DOI 10.1016/S0040-4020(01)87541-4
Molecular Weight 181.252 g/mol
Solvent CDCl3
Source File Reference UWGB9