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Traxoprodil -H2O
SpectraBase Compound ID J3eOzFdR3zQ
InChI InChI=1S/C20H23NO2/c1-16(15-17-7-9-19(22)10-8-17)21-13-11-20(23,12-14-21)18-5-3-2-4-6-18/h2-10,15,22-23H,11-14H2,1H3/b16-15+
InChIKey XVEAOUARVCERJG-FOCLMDBBSA-N
Mol Weight 309.41 g/mol
Molecular Formula C20H23NO2
Exact Mass 309.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu03fD9vAB7
Name Traxoprodil -H2O
CAS Registry Number 134234-12-1
Classification Psychotropic drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 309.172878983 u
Formula C20H23NO2
InChI InChI=1S/C20H23NO2/c1-16(15-17-7-9-19(22)10-8-17)21-13-11-20(23,12-14-21)18-5-3-2-4-6-18/h2-10,15,22-23H,11-14H2,1H3/b16-15+
InChIKey XVEAOUARVCERJG-FOCLMDBBSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 309.409 g/mol
SMILES c1cc(\C=C/(C)N2CCC(CC2)(c2ccccc2)O)ccc1O
SPLASH splash10-0zfr-7970000000-47d76fdbaa39ed8dccca
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
Technique GC/MS
Wiley ID MMPW6e_9706