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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 J0H8RoLikSN
Name Dodeca-(2E,6Z)-dienal
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
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
Number of Peaks 50
RI1 1448
RI2 1126
RI3 1285
RI4 1245
SMILES C(\C=C/CCCCC)C\C=C\C=O
SPLASH splash10-01bc-9000000000-bbf35b82f16185cf2470
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 2,6-Dodecadienal, (2E,6Z)-
Wiley ID LM_FFNSC3_1341