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2,6-Octadienal, 8-(acetyloxy)-3,7-dimethyl-, (E,E)-
SpectraBase Compound ID In930oxYdKf
InChI InChI=1S/C12H18O3/c1-10(7-8-13)5-4-6-11(2)9-15-12(3)14/h6-8H,4-5,9H2,1-3H3/b10-7+,11-6+
InChIKey AMEFVSGKXAKELG-NXAIOARDSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eq3VRpK1jyk
Name 2,6-Octadienal, 8-(acetyloxy)-3,7-dimethyl-, (E,E)-
Alternate Name(s) (2E,6E)-2,6-dimethyl-8-oxo-2,6-octadienyl acetate 10-Acetoxygeranial and 10-acetoxyneral
CAS Registry Number 80054-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-10(7-8-13)5-4-6-11(2)9-15-12(3)14/h6-8H,4-5,9H2,1-3H3/b10-7+,11-6+
InChIKey AMEFVSGKXAKELG-NXAIOARDSA-N
Molecular Weight 210.273 g/mol
SMILES C(=O)(OC\C(=C\CC\C(=C\C=O)C)C)C
SPLASH splash10-0f89-5900000000-976d811f66ac2fb94389
Source of Spectrum K-114-3436-0
Wiley ID 1209118