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Dosulepin-M (HO-) isomer-1 AC
SpectraBase Compound ID EXMSPt76DQh
InChI InChI=1S/C21H23NO2S/c1-15(23)24-17-10-11-21-20(13-17)19(9-6-12-22(2)3)18-8-5-4-7-16(18)14-25-21/h4-5,7-11,13H,6,12,14H2,1-3H3/b19-9-
InChIKey BTXYPYZNXYDAPP-OCKHKDLRSA-N
Mol Weight 353.48 g/mol
Molecular Formula C21H23NO2S
Exact Mass 353.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxRXcgPCZAg
Name Dosulepin-M (HO-) isomer-2 AC
Classification Antidepressant
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 353.144950157 u
Formula C21H23NO2S
InChI InChI=1S/C21H23NO2S/c1-15(23)24-17-10-11-21-20(13-17)19(9-6-12-22(2)3)18-8-5-4-7-16(18)14-25-21/h4-5,7-11,13H,6,12,14H2,1-3H3/b19-9-
InChIKey BTXYPYZNXYDAPP-OCKHKDLRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 353.480 g/mol
SMILES C1Sc2ccc(OC(C)=O)cc2\C(=C/CCN(C)C)c2ccccc12
SPLASH splash10-0a4i-9000000000-51edba5ca7c068a34be6
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+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_2944