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Dodeca-(2E,6Z)-dienal
SpectraBase Compound ID 42dEQvr3Xyv
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+
InChIKey VPEGROOEBNSCCL-JFEAUALZSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeViU6wb2tJ
Name Dodecadien-1-al<2Z,6E->
CAS Registry Number 21662-13-5
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 180.151415263 u
Formula C12H20O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+
InChIKey VPEGROOEBNSCCL-JFEAUALZSA-N
Molecular Weight 180.291 g/mol
Nominal Mass 180 u
Number of Peaks 95
SMILES C(=O)\C=C\CC\C=C/CCCCC
SPLASH splash10-06dl-9000000000-e7bf80aa89782cad1251
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001562