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(5E)-6-chloro-7,7-dimethoxy-5-hepten-2-one
SpectraBase Compound ID 8EFN43YmOfA
InChI InChI=1S/C9H15ClO3/c1-7(11)5-4-6-8(10)9(12-2)13-3/h6,9H,4-5H2,1-3H3/b8-6+
InChIKey PTBSLHICERDESQ-SOFGYWHQSA-N
Mol Weight 206.67 g/mol
Molecular Formula C9H15ClO3
Exact Mass 206.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3I4IinCw3Zf
Name (5E)-6-chloro-7,7-dimethoxy-5-hepten-2-one
Alternate Name(s) (E)-6-chloranyl-7,7-dimethoxy-hept-5-en-2-one (E)-6-chloro-7,7-dimethoxy-5-hepten-2-one (E)-6-chloro-7,7-dimethoxy-hept-5-en-2-one
CAS Registry Number 68200-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15ClO3
InChI InChI=1S/C9H15ClO3/c1-7(11)5-4-6-8(10)9(12-2)13-3/h6,9H,4-5H2,1-3H3/b8-6+
InChIKey PTBSLHICERDESQ-SOFGYWHQSA-N
Molecular Weight 206.669 g/mol
SMILES C(\C(=C/CCC(=O)C)Cl)(OC)OC
SPLASH splash10-005d-9400000000-9593ffc26221d8226d0c
Source of Spectrum J-44-448-0
Wiley ID 1203938