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Clotiapine artifact (desulfo-)
SpectraBase Compound ID 49V84J2iBm9
InChI InChI=1S/C18H18ClN3/c1-21-9-11-22(12-10-21)18-17-14(6-4-7-15(17)19)13-5-2-3-8-16(13)20-18/h2-8H,9-12H2,1H3
InChIKey SNFKXINULZBWCP-UHFFFAOYSA-N
Mol Weight 311.82 g/mol
Molecular Formula C18H18ClN3
Exact Mass 311.118925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20d5EQADtg
Name Clotiapine artifact (desulfo-)
Classification Neuroleptic
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Exact Mass 311.118925292 u
Formula C18H18ClN3
InChI InChI=1S/C18H18ClN3/c1-21-9-11-22(12-10-21)18-17-14(6-4-7-15(17)19)13-5-2-3-8-16(13)20-18/h2-8H,9-12H2,1H3
InChIKey SNFKXINULZBWCP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 311.816 g/mol
SMILES CN1CCN(CC1)c1c2c(c3c(n1)cccc3)cccc2Cl
SPLASH splash10-0006-5290000000-e0fc4485a37f9c39381e
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.
Sample Preparation Procedure Detected: U UHY UHYAC
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_2377