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2-Heptanol
SpectraBase Compound ID HP9gsGiV6U5
InChI InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey CETWDUZRCINIHU-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 IlZhYO5sm8
Name Heptan-2-ol
CAS Registry Number 543-49-7
Classification Fatty alcohols
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey CETWDUZRCINIHU-UHFFFAOYSA-N
Number of Peaks 50
RI4 913
RI5 587
SMILES CC(CCCCC)O
SPLASH splash10-0002-9000000000-4d71aa7da6e7b51dd02d
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2-Heptanol
Wiley ID LM_LIPIDS2016_338