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4-(1,2,2-Trimethylcyclopentyl)-1-cyclohex-3-enone

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4-(1,2,2-Trimethylcyclopentyl)-1-cyclohex-3-enone
SpectraBase Compound ID nu5amlDaqg
InChI InChI=1S/C14H22O/c1-13(2)9-4-10-14(13,3)11-5-7-12(15)8-6-11/h5H,4,6-10H2,1-3H3
InChIKey SOXSSIBKLPHCDA-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5VrWqjdCAfH
Name 4-(1,2,2-Trimethylcyclopentyl)-1-cyclohex-3-enone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.167065327 u
Formula C14H22O
InChI InChI=1S/C14H22O/c1-13(2)9-4-10-14(13,3)11-5-7-12(15)8-6-11/h5H,4,6-10H2,1-3H3
InChIKey SOXSSIBKLPHCDA-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C1(C2=CCC(CC2)=O)(C(CCC1)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971661