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1-Hexanol
SpectraBase Compound ID CUYBqJYjsv3
InChI InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Mol Weight 102.18 g/mol
Molecular Formula C6H14O
Exact Mass 102.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2F7b9sdk9HD
Name Hexanol
Source of Sample SAFC Cat.no. W256714
CAS Registry Number 111-27-3
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 102.104465070 u
Formula C6H14O
InChI InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Molecular Weight 102.177 g/mol
Number of Peaks 43
RI1 867
RI2 529
RI3 758
RI4 711
SMILES OCCCCCC
SPLASH splash10-052f-9000000000-88c36c8a6525309c157a
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-Hexanol
Wiley ID LM_FFNSC3_350