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2,5-Heptadien-4-one, 3-chloro-2,6-dimethyl-
SpectraBase Compound ID LyfYQfzb2a
InChI InChI=1S/C9H13ClO/c1-6(2)5-8(11)9(10)7(3)4/h5H,1-4H3
InChIKey NVIBHXHCGRVPNV-UHFFFAOYSA-N
Mol Weight 172.65 g/mol
Molecular Formula C9H13ClO
Exact Mass 172.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7Ox9EqIEVd
Name 2,5-Heptadien-4-one, 3-chloro-2,6-dimethyl-
Alternate Name(s) 3-Chloro-2,6-dimethyl-2,5-heptadien-4-one
CAS Registry Number 94994-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO
InChI InChI=1S/C9H13ClO/c1-6(2)5-8(11)9(10)7(3)4/h5H,1-4H3
InChIKey NVIBHXHCGRVPNV-UHFFFAOYSA-N
Molecular Weight 172.655 g/mol
SMILES C(C(=C(C)C)Cl)(C=C(C)C)=O
SPLASH splash10-0a59-9400000000-7f5fbba398bb413ed44f
Source of Spectrum J-50-896-11
Wiley ID 1168632