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1,8-Dichloro-5-oxa-10-azatricyclo[5.3.1.0(3,8)]undeca-9-one
SpectraBase Compound ID 4FN85MY9D6z
InChI InChI=1S/C9H11Cl2NO2/c10-8-1-5-3-14-4-6(2-8)9(5,11)7(13)12-8/h5-6H,1-4H2,(H,12,13)
InChIKey KLKOPZMFAFJLMY-UHFFFAOYSA-N
Mol Weight 236.1 g/mol
Molecular Formula C9H11Cl2NO2
Exact Mass 235.016684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dMYlB9OhHF
Name 1,8-Dichloro-5-oxa-10-azatricyclo[5.3.1.0(3,8)]undeca-9-one
Alternate Name(s) 1,8-Dichloro-5-oxa-10-azatricyclo[5.3.1.0(3,5)]undeca-9-one 1,8-dichloro-5-oxa-10-azatricyclo[5.3.1.0(3,8)]undecan-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11Cl2NO2
InChI InChI=1S/C9H11Cl2NO2/c10-8-1-5-3-14-4-6(2-8)9(5,11)7(13)12-8/h5-6H,1-4H2,(H,12,13)
InChIKey KLKOPZMFAFJLMY-UHFFFAOYSA-N
Molecular Weight 236.098 g/mol
SMILES N1C2(CC3COCC(C3(C1=O)Cl)C2)Cl
SPLASH splash10-0udr-0090000000-2ccb13bf4676066138b1
Source of Spectrum KC-0-523-24
Wiley ID 785149