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(E)-2-(Hept-1-en-1-yl)cyclohex-2-enone

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

(E)-2-(Hept-1-en-1-yl)cyclohex-2-enone
SpectraBase Compound ID K7OOyGDeWaf
InChI InChI=1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h6,9-10H,2-5,7-8,11H2,1H3/b9-6+
InChIKey JNLQBOCYPNFHED-RMKNXTFCSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FGUsccaAfyB
Name (E)-2-(Hept-1-en-1-yl)cyclohex-2-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h6,9-10H,2-5,7-8,11H2,1H3/b9-6+
InChIKey JNLQBOCYPNFHED-RMKNXTFCSA-N
Molecular Weight 192.302 g/mol
SMILES C(\C=C\C=1C(=O)CCCC1)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986613