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3-Chloropropiophenone
SpectraBase Compound ID LteQcH7O5RK
InChI InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Mol Weight 168.62 g/mol
Molecular Formula C9H9ClO
Exact Mass 168.034193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fePoZASGes
Name 3-chloropropiophenone
Carrier Gas (1 mL/min)
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Exact Mass 168.034192609 u
Formula C9H9ClO
GC Column DB-5 (30 m x 250 micrometer, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202307042
Quality 271
SMILES C1=CC(=CC=C1)C(=O)CCCl
SPLASH splash10-0a6r-5900000000-5af91cf58faddb9d5d23
Source of Spectrum ACI-62-5-1 (DOI: 10.1002/anie.202307042)
Wiley ID 1911906