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(Z)-2-Pentylidene-6,6-dimethylcyclohexanone

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

(Z)-2-Pentylidene-6,6-dimethylcyclohexanone
SpectraBase Compound ID I2Yd1KKCUEP
InChI InChI=1S/C13H22O/c1-4-5-6-8-11-9-7-10-13(2,3)12(11)14/h8H,4-7,9-10H2,1-3H3/b11-8-
InChIKey ONDVQVCKPOYTRC-FLIBITNWSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CfHQ0voUZ0j
Name (Z)-2-Pentylidene-6,6-dimethylcyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-5-6-8-11-9-7-10-13(2,3)12(11)14/h8H,4-7,9-10H2,1-3H3/b11-8-
InChIKey ONDVQVCKPOYTRC-FLIBITNWSA-N
Molecular Weight 194.318 g/mol
SMILES C1(\C(=C/CCCC)CCCC1(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966125