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Isocubenol

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

Isocubenol
SpectraBase Compound ID 60hus92NDud
InChI InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-13,16H,5-8H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKey PHWPOXHXHWFTMY-GUIRCDHDSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K6yAadH9DIN
Name Isocubenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-13,16H,5-8H2,1-4H3/t11-,12-,13+,15-/m1/s1
InChIKey PHWPOXHXHWFTMY-GUIRCDHDSA-N
Molecular Weight 222.372 g/mol
SMILES C1=2[C@@](CC[C@](C2)(C)[H])([C@](C)(CC[C@]1(C(C)C)[H])[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901506