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2,4,6-OCTATRIEN, ALL-trans
SpectraBase Compound ID KDjWpVrByWP
InChI InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3+,6-4+,8-7+
InChIKey CGMDPTNRMYIZTM-NKYSMPERSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n99lm0OosS
Name OCTA-2,4,6-TRIENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-8H,1-2H3/b5-3+,6-4+,8-7+
InChIKey CGMDPTNRMYIZTM-NKYSMPERSA-N
Molecular Weight 108.0936
SMILES C\C=C\C=C\C=C\C
SPLASH splash10-002f-9100000000-cff40b75ad13921aab23
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany