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3-Chloranyl-2,6-dimethyl-hepta-1,5-dien-4-one
SpectraBase Compound ID pjoxVjmcvk
InChI InChI=1S/C9H13ClO/c1-6(2)5-8(11)9(10)7(3)4/h5,9H,3H2,1-2,4H3
InChIKey GFPRTIXJVSQXFM-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 ElIhj3hgK2W
Name 3-Chloranyl-2,6-dimethyl-hepta-1,5-dien-4-one
CAS Registry Number 81454-78-6
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/h5,9H,3H2,1-2,4H3
InChIKey GFPRTIXJVSQXFM-UHFFFAOYSA-N
Molecular Weight 172.655 g/mol
SMILES C(C=C(C)C)(C(C(=C)C)Cl)=O
SPLASH splash10-0f8c-9200000000-e6431c6a8d37b2da04e3
Source of Spectrum J-50-896-10
Synonyms 3-Chloro-2,6-dimethyl-1,5-heptadien-4-one 3-Chloro-2,6-dimethyl-4-hepta-1,5-dienone 3-Chloro-2,6-dimethyl-hepta-1,5-dien-4-one
Wiley ID 1168631