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Traxoprodil -2H2O isomer-1 AC
SpectraBase Compound ID IbC9Vv2wDtT
InChI InChI=1S/C22H23NO2/c1-17(16-19-8-10-22(11-9-19)25-18(2)24)23-14-12-21(13-15-23)20-6-4-3-5-7-20/h3-12,16H,13-15H2,1-2H3
InChIKey YTTUIBYKKWMLBG-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C22H23NO2
Exact Mass 333.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yTXww0dMw2
Name Traxoprodil -2H2O isomer-1 AC
Classification Psychotropic drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 333.172878983 u
Formula C22H23NO2
InChI InChI=1S/C22H23NO2/c1-17(16-19-8-10-22(11-9-19)25-18(2)24)23-14-12-21(13-15-23)20-6-4-3-5-7-20/h3-12,16H,13-15H2,1-2H3
InChIKey YTTUIBYKKWMLBG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 333.431 g/mol
SMILES c1c(OC(=O)C)ccc(C=C(C)N2CCC(=CC2)c2ccccc2)c1
SPLASH splash10-001r-2952000000-77060808bda5750a24bf
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 Traxoprodil -2H2O cis/trans isomer-1 AC
Technique GC/MS
Wiley ID MMPW6e_10302