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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 IH1PRRpru2i
Name (4E)-Heptenal diethyl acetal
Alternate Name(s) Heptenal<4E->, diethyl acetal
CAS Registry Number 18492-66-5
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Formula C11H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
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
SMILES C(C)OC(CC\C=C\CC)OCC
SPLASH splash10-0f95-9200000000-9383ba5cee71e0f7d394
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886408