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(4E)-3-chloro-2,7-dimethyl-octa-2,4,6-triene
SpectraBase Compound ID Bwniqb79Qcs
InChI InChI=1S/C10H15Cl/c1-8(2)6-5-7-10(11)9(3)4/h5-7H,1-4H3/b7-5+
InChIKey JALYMOUEWDSMEG-FNORWQNLSA-N
Mol Weight 170.68 g/mol
Molecular Formula C10H15Cl
Exact Mass 170.086228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3KE3jP4MlU
Name (4E)-3-chloro-2,7-dimethyl-octa-2,4,6-triene
Appearance Colorless
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15Cl
InChI InChI=1S/C10H15Cl/c1-8(2)6-5-7-10(11)9(3)4/h5-7H,1-4H3/b7-5+
InChIKey JALYMOUEWDSMEG-FNORWQNLSA-N
Instrument Name Finnigan 8430
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.5
Molecular Weight 170.683 g/mol
SMILES C(=C\C=C\C(=C(C)C)Cl)(C)C
SPLASH splash10-05bf-9600000000-6b1f946be99d48c1875b
Sample Comments trans/cis = 10:1
Source of Spectrum BJO-9-SM14-55-HCl
Wiley ID 1865106