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2-Butanol, 4-(2,2-dimethyl-6-methylenecyclohexylidene)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Butanol, 4-(2,2-dimethyl-6-methylenecyclohexylidene)-
SpectraBase Compound ID L9ZKCmx7DJz
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h8,11,14H,1,5-7,9H2,2-4H3/b12-8+
InChIKey JCNOUKGMLRQVGG-XYOKQWHBSA-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 ExLqBVQe7Qj
Name 2-Butanol, 4-(2,2-dimethyl-6-methylenecyclohexylidene)-
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/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h8,11,14H,1,5-7,9H2,2-4H3/b12-8+
InChIKey JCNOUKGMLRQVGG-XYOKQWHBSA-N
Molecular Weight 194.318 g/mol
SMILES C1CCC(\C(C1=C)=C\CC(C)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948435