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(1S*,2R*,4S*,8R*)-2-Cyano-8-acetylbicyclo[3.2.1]oct-6-ene
SpectraBase Compound ID 87wulM5UwWX
InChI InChI=1S/C11H13NO/c1-7(13)11-8-2-3-9(6-12)10(11)5-4-8/h4-5,8-11H,2-3H2,1H3/t8-,9-,10-,11+/m0/s1
InChIKey RAVMKKPKBQJXLU-XWLWVQCSSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KW69vChtD6C
Name (1S*,2R*,4S*,8R*)-2-Cyano-8-acetylbicyclo[3.2.1]oct-6-ene
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820828
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c1-7(13)11-8-2-3-9(6-12)10(11)5-4-8/h4-5,8-11H,2-3H2,1H3/t8-,9-,10-,11+/m0/s1
InChIKey RAVMKKPKBQJXLU-XWLWVQCSSA-N
Molecular Weight 175.231 g/mol
SMILES C=1[C@@]2([C@@](C(=O)C)([H])[C@](C1)(CC[C@]2(C#N)[H])[H])[H]
SPLASH splash10-004l-9000000000-df4f7451e493d35c114e
Source of Spectrum C-115-5951-16
Synonyms (1S,2R,8R)-8-acetylbicyclo[3.2.1]oct-6-ene-2-carbonitrile
Wiley ID 1171638