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1-(4-Chlorophenyl)propan-1,2-dione
SpectraBase Compound ID LSTdQUaoNqJ
InChI InChI=1S/C9H7ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKey HOZREFFNUJAHQP-UHFFFAOYSA-N
Mol Weight 182.61 g/mol
Molecular Formula C9H7ClO2
Exact Mass 182.013457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGgMSVXDJWi
Name 1-(4-Chlorophenyl)propan-1,2-dione
Classification Designer drug side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 182.013457163 u
Formula C9H7ClO2
InChI InChI=1S/C9H7ClO2/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-5H,1H3
InChIKey HOZREFFNUJAHQP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 182.606 g/mol
Nominal Mass 182 u
Quality 948
Retention Index 1290
SMILES C=1(C(C(=O)C)=O)C=CC(=CC1)Cl
SPLASH splash10-01p9-3900000000-a9e9b2bd23d96ec62f36
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_026536