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9-bromo-9-chloro-1,2-nonadien-4-one
SpectraBase Compound ID HXt58rgxXPF
InChI InChI=1S/C9H12BrClO/c1-2-5-8(12)6-3-4-7-9(10)11/h5,9H,1,3-4,6-7H2
InChIKey WLFFFFJABJMDLB-UHFFFAOYSA-N
Mol Weight 251.55 g/mol
Molecular Formula C9H12BrClO
Exact Mass 249.976006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15yiE9xSIGI
Name 9-bromo-9-chloro-1,2-nonadien-4-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12BrClO
InChI InChI=1S/C9H12BrClO/c1-2-5-8(12)6-3-4-7-9(10)11/h5,9H,1,3-4,6-7H2
InChIKey WLFFFFJABJMDLB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00452
Molecular Weight 251.551 g/mol
Reported Formula C9H12(79)Br(35)ClO
SMILES C(C=C=C)(=O)CCCCC(Br)Cl
SPLASH splash10-014i-9000000000-3271fe8ca8fd5825f119
Source of Spectrum A1-23-SM27-3lb
Wiley ID 1865993