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1-Octyne
SpectraBase Compound ID Il4WZmPx5N3
InChI InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChIKey UMIPWJGWASORKV-UHFFFAOYSA-N
Mol Weight 110.2 g/mol
Molecular Formula C8H14
Exact Mass 110.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIhisK0avzy
Name Hexylacetylene
CAS Registry Number 629-05-0
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 110.109550451 u
Formula C8H14
InChI InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChIKey UMIPWJGWASORKV-UHFFFAOYSA-N
Molecular Weight 110.200 g/mol
Number of Peaks 45
RI1 817
RI2 473
SMILES CCCCCCC#C
SPLASH splash10-00l6-9000000000-f26d91c45ad3e9e6d7a2
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-Octyne
Wiley ID LM_FFNSC3_1578