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Cyamemazine-M (HO-methoxy-) AC
SpectraBase Compound ID FaX13sKFnmf
InChI InChI=1S/C22H25N3O3S/c1-14(12-24(3)4)13-25-17-8-16(11-23)6-7-21(17)29-22-10-19(27-5)20(9-18(22)25)28-15(2)26/h6-10,14H,12-13H2,1-5H3
InChIKey QRQIWGZTHOZSPW-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C22H25N3O3S
Exact Mass 411.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77yvi8jRY4c
Name Cyamemazine-M (HO-methoxy-) AC
Classification Neuroleptic
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 411.161662848 u
Formula C22H25N3O3S
InChI InChI=1S/C22H25N3O3S/c1-14(12-24(3)4)13-25-17-8-16(11-23)6-7-21(17)29-22-10-19(27-5)20(9-18(22)25)28-15(2)26/h6-10,14H,12-13H2,1-5H3
InChIKey QRQIWGZTHOZSPW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 411.520 g/mol
SMILES COc1c(cc2N(c3c(ccc(C#N)c3)Sc2c1)CC(CN(C)C)C)OC(=O)C
SPLASH splash10-0a4i-9563200000-558beca46139167fa12d
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: 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_4392