For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
ethyl (E)-2,3,7-trimethylocta-2,6-dienoate
SpectraBase Compound ID F98Df3fNPKc
InChI InChI=1S/C13H22O2/c1-6-15-13(14)12(5)11(4)9-7-8-10(2)3/h8H,6-7,9H2,1-5H3/b12-11-
InChIKey MDHZSKWEFABKKL-QXMHVHEDSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7uJqD8iagTi
Name ethyl (E)-2,3,7-trimethylocta-2,6-dienoate
Appearance Colourless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
GC Column HP5-MS (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 50oC
InChI InChI=1S/C13H22O2/c1-6-15-13(14)12(5)11(4)9-7-8-10(2)3/h8H,6-7,9H2,1-5H3/b12-11-
InChIKey MDHZSKWEFABKKL-QXMHVHEDSA-N
Inlet Type Splitless/split (50:1)
Instrument Name Agilent 7890B-5977A series
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.18.82
Molecular Weight 210.317 g/mol
Quality 227
SMILES C(C)OC(\C(=C/(CCC=C(C)C)C)C)=O
SPLASH splash10-014l-9300000000-4ffddca01e1fc943c40b
Source of Spectrum BJO-18-SM2-(E)-3 (DOI: 10.3762/bjoc.18.82)
Thin-Layer Chromatography 0.35 (n-pentane/Et2O, 20:1)
Wiley ID 1901323