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4-Cyanobicyclo[3.2.1]oct-2-ene-8-one
SpectraBase Compound ID 1tWK2y58rjG
InChI InChI=1S/C9H9NO/c10-5-7-2-1-6-3-4-8(7)9(6)11/h1-2,6-8H,3-4H2/t6-,7?,8-/m0/s1
InChIKey FHRVSKDTKKQYNL-PPSBICQBSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ont20SLxcE
Name 4-Cyanobicyclo[3.2.1]oct-2-ene-8-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c10-5-7-2-1-6-3-4-8(7)9(6)11/h1-2,6-8H,3-4H2/t6-,7?,8-/m0/s1
InChIKey FHRVSKDTKKQYNL-PPSBICQBSA-N
Molecular Weight 147.177 g/mol
SMILES [C@]12(C=CC([C@](CC2)(C1=O)[H])C#N)[H]
SPLASH splash10-014j-0900000000-01c6b168515671c898d5
Source of Spectrum SO-0-590-9
Synonyms 8-oxobicyclo[3.2.1]oct-3-ene-2-carbonitrile
Wiley ID 1545729