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(1R*,2R*,5S*,9R*)-9-Formyl-7-phenylthiobicyclo[3.3.1]non-7-ene-2-carbonitrile
SpectraBase Compound ID KZtFpuJrJJ7
InChI InChI=1S/C17H17NOS/c18-10-13-7-6-12-8-15(9-16(13)17(12)11-19)20-14-4-2-1-3-5-14/h1-5,9,11-13,16-17H,6-8H2/t12-,13-,16-,17+/m0/s1
InChIKey SRPWFACRGKXEMH-MGBSGCIJSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DijRkGuILCj
Name (1R*,2R*,5S*,9R*)-9-Formyl-7-phenylthiobicyclo[3.3.1]non-7-ene-2-carbonitrile
Alternate Name(s) (1R,2R,5S,9R)-9-formyl-7-(phenylsulfanyl)bicyclo[3.3.1]non-7-ene-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c18-10-13-7-6-12-8-15(9-16(13)17(12)11-19)20-14-4-2-1-3-5-14/h1-5,9,11-13,16-17H,6-8H2/t12-,13-,16-,17+/m0/s1
InChIKey SRPWFACRGKXEMH-MGBSGCIJSA-N
Molecular Weight 283.389 g/mol
SMILES [C@]12(C=C(Sc3ccccc3)C[C@]([C@]1(C=O)[H])([H])CC[C@]2(C#N)[H])[H]
SPLASH splash10-0a59-2960000000-36ed6e3fec6ac5def316
Source of Spectrum QA-43-362-9
Wiley ID 862259