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4-Heptanol
SpectraBase Compound ID 7gbIBM3FQpN
InChI InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey YVBCULSIZWMTFY-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 EWCBnBsjeRF
Name Heptyl alcohol <4->
CAS Registry Number 589-55-9
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 116.120115134 u
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey YVBCULSIZWMTFY-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
Number of Peaks 50
RI1 903
RI2 772
RI3 745
RI4 791
SMILES OC(CCC)CCC
SPLASH splash10-0ab9-9000000000-8a07a9106186cd7b0846
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 4-Heptanol
Wiley ID LM_FFNSC3_1937