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(3E)-4-(2-Bromo-4-chlorophenyl)but-3-en-2-one
SpectraBase Compound ID 5c6E1XLnJrC
InChI InChI=1S/C10H8BrClO/c1-7(13)2-3-8-4-5-9(12)6-10(8)11/h2-6H,1H3/b3-2+
InChIKey ZMTOWWCAHMDSME-NSCUHMNNSA-N
Mol Weight 259.53 g/mol
Molecular Formula C10H8BrClO
Exact Mass 257.944706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaU7BC8N5Cu
Name (3E)-4-(2-Bromo-4-chlorophenyl)but-3-en-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.944705577 u
Formula C10H8BrClO
InChI InChI=1S/C10H8BrClO/c1-7(13)2-3-8-4-5-9(12)6-10(8)11/h2-6H,1H3/b3-2+
InChIKey ZMTOWWCAHMDSME-NSCUHMNNSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901551
Quality 152
SMILES C1(Br)=C(C=CC(=C1)Cl)\C=C\C(C)=O
SPLASH splash10-004i-1910000000-9a8538fe160e75f4f803
Source of Spectrum K1-2019-7716-1l (DOI: 10.1002/ejoc.201901551)
Wiley ID 1892358