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2-Hexenal diethyl acetal, predominantly trans
SpectraBase Compound ID 8ao7EsZc8N6
InChI InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKey WMQKYHTZGYIHHD-CMDGGOBGSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ANmvmb1uKU
Name Hex-(2E)-enal acetal
CAS Registry Number 67746-30-9
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 172.146329882 u
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3/b9-8+
InChIKey WMQKYHTZGYIHHD-CMDGGOBGSA-N
Molecular Weight 172.268 g/mol
Number of Peaks 50
RI1 1094
RI2 768
SMILES CCC\C=C\C(OCC)OCC
SPLASH splash10-056r-9400000000-a7ae8ec63b6eb6b52577
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 2-Hexene, 1,1-diethoxy-, (2E)-
Wiley ID LM_FFNSC3_1375