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6-(1'-oxo-Propenyl)-1,3-cis,cis-cyclooctadiene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

6-(1'-oxo-Propenyl)-1,3-cis,cis-cyclooctadiene
SpectraBase Compound ID DGonRksZfKx
InChI InChI=1S/C11H14O/c1-2-11(12)10-8-6-4-3-5-7-9-10/h2-6,10H,1,7-9H2/b5-3-,6-4-
InChIKey ORMHBBDFFACMFY-GLIMQPGKSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I0Z1QIoNs1E
Name 6-(1'-oxo-Propenyl)-1,3-cis,cis-cyclooctadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.104465070 u
Formula C11H14O
InChI InChI=1S/C11H14O/c1-2-11(12)10-8-6-4-3-5-7-9-10/h2-6,10H,1,7-9H2/b5-3-,6-4-
InChIKey ORMHBBDFFACMFY-GLIMQPGKSA-N
Molecular Weight 162.232 g/mol
SMILES C(=O)(C=C)C1C\C=C/C=C\CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838994