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2-Ethyl-1,3-hexanediol isomer I
SpectraBase Compound ID MxzcIx5ql8
InChI InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey RWLALWYNXFYRGW-HTQZYQBOSA-N
Mol Weight 146.23 g/mol
Molecular Formula C8H18O2
Exact Mass 146.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oh6jtlOigN
Name 2-Ethyl-1,3-hexanediol isomer I
Source of Sample Sigma-Aldrich Cat. #E29125
CAS Registry Number 10017-84-2
Classification Pesticides: Repellents
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 146.130679818 u
Formula C8H18O2
InChI InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey RWLALWYNXFYRGW-HTQZYQBOSA-N
Molecular Weight 146.230 g/mol
Number of Peaks 90
RI1 1217
SMILES O[C@@]([C@@](CO)(CC)[H])(CCC)[H]
SPLASH splash10-0a4i-9000000000-6b71d27be4538d5d3663
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1,3-Hexanediol, 2-ethyl-, (2R,3R)-rel-
Wiley ID LM_PEST_451