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Chlorpromazine Cl artifact iso-1
SpectraBase Compound ID 5oP71ooIww2
InChI InChI=1S/C17H18Cl2N2S/c1-20(2)8-3-9-21-14-10-12(18)4-6-16(14)22-17-7-5-13(19)11-15(17)21/h4-7,10-11H,3,8-9H2,1-2H3
InChIKey WQRSVZGQVOHBIF-UHFFFAOYSA-N
Mol Weight 353.31 g/mol
Molecular Formula C17H18Cl2N2S
Exact Mass 352.056775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AlC7S29hY
Name Chlorpromazine Cl artifact iso-2
Classification Neuroleptic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 352.056775162 u
Formula C17H18Cl2N2S
InChI InChI=1S/C17H18Cl2N2S/c1-20(2)8-3-9-21-14-10-12(18)4-6-16(14)22-17-7-5-13(19)11-15(17)21/h4-7,10-11H,3,8-9H2,1-2H3
InChIKey WQRSVZGQVOHBIF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 353.311 g/mol
SMILES C(CCN1c2c(Sc3ccc(Cl)cc13)ccc(c2)Cl)N(C)C
SPLASH splash10-0a4i-9244000000-4a39acff3d122b4eb929
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
Synonyms Chlorpromazine chloro artifact isomer-2
Technique GC/MS
Wiley ID MMPW6e_7648