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(2E,4E)-Hexadienol butanoate
SpectraBase Compound ID JsOvzSUr4Am
InChI InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+
InChIKey PTJGYWXDEDRLPB-TWTPFVCWSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3icurakeT28
Name (2E,4E)-Hexadienol butanoate
Alternate Name(s) Hexadienol butanoate<2E,4E->
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
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/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+
InChIKey PTJGYWXDEDRLPB-TWTPFVCWSA-N
Molecular Weight 168.236 g/mol
SMILES C\C=C\C=C\COC(CCC)=O
SPLASH splash10-00dl-9000000000-d827670c9cca396272cb
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886411