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sec-BUTYL CARBINOL
SpectraBase Compound ID 4eQxUNTQbXf
InChI InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKey QPRQEDXDYOZYLA-UHFFFAOYSA-N
Mol Weight 88.15 g/mol
Molecular Formula C5H12O
Exact Mass 88.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9T7nFXmURD
Name Carbinol
Source of Sample SAFC Cat.no. W399809
CAS Registry Number 137-32-6
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 88.088815005 u
Formula C5H12O
InChI InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
InChIKey QPRQEDXDYOZYLA-UHFFFAOYSA-N
Molecular Weight 88.150 g/mol
Number of Peaks 41
RI1 731
RI2 410
RI3 611
RI4 558
RI5 723
SMILES OCC(CC)C
SPLASH splash10-0a4l-9000000000-34fec636d7190ff85575
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Butanol, 2-methyl
Wiley ID LM_FFNSC3_1648