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Heptenal<4E->, diethyl acetal
SpectraBase Compound ID 44a1wAE1VP3
InChI InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKey BOALWZNGHWYCRG-BQYQJAHWSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DcKHFDVrpE
Name Heptenal <4E->, diethyl acetal
CAS Registry Number 18492-66-5
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 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKey BOALWZNGHWYCRG-BQYQJAHWSA-N
Molecular Weight 186.295 g/mol
Number of Peaks 50
RI1 1190
SMILES C(OCC)(OCC)CC\C=C\CC
SPLASH splash10-0f95-9200000000-fe0c6e377ab88bc73869
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 3-Heptene, 7,7-diethoxy-
Wiley ID LM_FFNSC3_2642