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3-(3-Chlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SpectraBase Compound ID BxmcMPj3SXE
InChI InChI=1S/C13H12ClNO2/c1-12-7-13(12,2)11(17)15(10(12)16)9-5-3-4-8(14)6-9/h3-6H,7H2,1-2H3
InChIKey HFOQQHPBZZZRNU-UHFFFAOYSA-N
Mol Weight 249.7 g/mol
Molecular Formula C13H12ClNO2
Exact Mass 249.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkW46zbImbj
Name Procymidone artifact (dechloro-)
Classification Fungicide
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Exact Mass 249.055656328 u
Formula C13H12ClNO2
InChI InChI=1S/C13H12ClNO2/c1-12-7-13(12,2)11(17)15(10(12)16)9-5-3-4-8(14)6-9/h3-6H,7H2,1-2H3
InChIKey HFOQQHPBZZZRNU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 249.697 g/mol
SMILES c1(cccc(c1)N1C(C2(C)C(C1=O)(C)C2)=O)Cl
SPLASH splash10-0002-9130000000-bfd880aa33d2faf63c1a
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_3482