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(2Z,4E)-7-chloro-3,5-dimethylhepta-2,4-dienoic acid
SpectraBase Compound ID 9saUO9bOsWd
InChI InChI=1S/C9H13ClO2/c1-7(3-4-10)5-8(2)6-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/b7-5+,8-6-
InChIKey KJMXWOJIUHCJEV-YMBWGVAGSA-N
Mol Weight 188.65 g/mol
Molecular Formula C9H13ClO2
Exact Mass 188.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46xoR7hGdPj
Name (2Z,4E)-7-chloro-3,5-dimethylhepta-2,4-dienoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO2
InChI InChI=1S/C9H13ClO2/c1-7(3-4-10)5-8(2)6-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)/b7-5+,8-6-
InChIKey KJMXWOJIUHCJEV-YMBWGVAGSA-N
Literature Reference DOI 10.1002/anie.201307028
Molecular Weight 188.654 g/mol
SMILES OC(=O)\C=C/(\C=C/(C)CCCl)C
SPLASH splash10-004i-7900000000-ea7ccbfbb47c48cfabef
Source of Spectrum ACI-52-SMS-11-5g
Wiley ID 1782002