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2-(Hept-1-yn-1-yl)-6-hydroxy-2-methylcyclohexanone

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

2-(Hept-1-yn-1-yl)-6-hydroxy-2-methylcyclohexanone
SpectraBase Compound ID 1PY51evLS9B
InChI InChI=1S/C14H22O2/c1-3-4-5-6-7-10-14(2)11-8-9-12(15)13(14)16/h12,15H,3-6,8-9,11H2,1-2H3/t12-,14-/m1/s1
InChIKey UARHMWKSIHRDCG-TZMCWYRMSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BEplNxNW2vJ
Name 2-(Hept-1-yn-1-yl)-6-hydroxy-2-methylcyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-3-4-5-6-7-10-14(2)11-8-9-12(15)13(14)16/h12,15H,3-6,8-9,11H2,1-2H3/t12-,14-/m1/s1
InChIKey UARHMWKSIHRDCG-TZMCWYRMSA-N
Molecular Weight 222.328 g/mol
SMILES C[C@@]1(C#CCCCCC)CCC[C@](C1=O)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844272