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1-Heptanol
SpectraBase Compound ID 1hLCYr0I9Tp
InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBzyomDWn1r
Name Heptanol
Source of Sample SAFC Cat. #W254800
CAS Registry Number 111-70-6
Classification Fatty alcohols
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
Number of Peaks 44
RI2 894
RI4 970
RI5 643
SMILES C(CCCCCC)O
SPLASH splash10-0596-9000000000-4b0968c8f209e2986238
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Heptanol
Wiley ID LM_LIPIDS2016_337