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2-(Hydroxymethyl)-2-[1'-cyclohexyl-2'-propenyl]cyclohexanone

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

2-(Hydroxymethyl)-2-[1'-cyclohexyl-2'-propenyl]cyclohexanone
SpectraBase Compound ID 3MyBqGL340Y
InChI InChI=1S/C16H26O2/c1-2-14(13-8-4-3-5-9-13)16(12-17)11-7-6-10-15(16)18/h2,13-14,17H,1,3-12H2
InChIKey ABDVLGDRMUQROT-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EYPh945h513
Name 2-(Hydroxymethyl)-2-[1'-cyclohexyl-2'-propenyl]cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-2-14(13-8-4-3-5-9-13)16(12-17)11-7-6-10-15(16)18/h2,13-14,17H,1,3-12H2
InChIKey ABDVLGDRMUQROT-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES C1(C(C=C)C2CCCCC2)(C(=O)CCCC1)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936763