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Clonazepam isomer-1 ME
SpectraBase Compound ID H4EFtfGv797
InChI InChI=1S/C16H12ClN3O3/c1-23-15-9-18-16(11-4-2-3-5-13(11)17)12-8-10(20(21)22)6-7-14(12)19-15/h2-8H,9H2,1H3
InChIKey DCTKTRRYJDQZDQ-UHFFFAOYSA-N
Mol Weight 329.74 g/mol
Molecular Formula C16H12ClN3O3
Exact Mass 329.056719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1quhhXLCUj
Name Clonazepam isomer-1 ME
Classification Anticonvulsant
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Exact Mass 329.056718955 u
Formula C16H12ClN3O3
InChI InChI=1S/C16H12ClN3O3/c1-23-15-9-18-16(11-4-2-3-5-13(11)17)12-8-10(20(21)22)6-7-14(12)19-15/h2-8H,9H2,1H3
InChIKey DCTKTRRYJDQZDQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 329.743 g/mol
SMILES c12c(cc(cc2)N(=O)=O)C(=NCC(=N1)OC)c1c(cccc1)Cl
SPLASH splash10-0059-0398000000-fc67249bbc39372db1a0
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_460