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Cubenol

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

Cubenol
SpectraBase Compound ID HrS4HPsQA1m
InChI InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1
InChIKey COGPRPSWSKLKTF-CBBWQLFWSA-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 88x6fKdtZab
Name Cubenol
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/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14+,15-/m1/s1
InChIKey COGPRPSWSKLKTF-CBBWQLFWSA-N
Molecular Weight 222.372 g/mol
SMILES [C@]12(O)CCC(=C[C@]2([C@@](CC[C@]1(C)[H])(C(C)C)[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941944